60186986
  -OEChem-04192420182D

 71 76  0     1  0  0  0  0  0999 V2000
   12.4587    1.1900    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.3966   -5.3100    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.3966    4.6900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9946    4.1900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3966   -2.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4110    1.0564    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1286    2.6900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2626   -0.8100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4503    2.9947    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1286   -2.3100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2626    1.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1286    1.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3966    1.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1286    0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3966    0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3966    2.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2626    3.1900    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.1286   -0.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3966   -0.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4503    1.3853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8667    2.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2626    4.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9946    3.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0430    0.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2626   -1.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8353    2.0986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0140    0.3180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8606    2.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4060    1.1562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7267    3.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8606    1.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1286   -3.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5927    2.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7267    1.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5927    1.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.1448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2626   -3.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9946   -3.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2626   -4.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9946   -4.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1286   -5.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3406    1.1074    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7392    1.7977    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7392    0.5823    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3406    1.2726    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1845    1.2726    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7860    0.5823    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7995    3.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3406   -0.8926    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7392   -0.2023    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7860   -0.2023    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1845   -0.8926    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2577    3.5840    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8732    4.0823    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4746    4.7726    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4128   -0.0644    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4771    2.6046    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7635   -0.2491    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3966    5.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6655   -2.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7267    3.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3237    1.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1296    3.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7267    0.5700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4348    0.3996    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7452   -0.4204    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5652   -0.1100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7256   -3.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5316   -3.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5316   -5.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1286   -5.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 35  1  0  0  0  0
  2 39  1  0  0  0  0
  3 22  1  0  0  0  0
  3 59  1  0  0  0  0
  4 23  2  0  0  0  0
  5 25  2  0  0  0  0
  6 29  1  0  0  0  0
  6 36  1  0  0  0  0
  7 12  1  0  0  0  0
  7 17  1  0  0  0  0
  7 23  1  0  0  0  0
  8 18  1  0  0  0  0
  8 19  1  0  0  0  0
  8 25  1  0  0  0  0
  9 16  1  0  0  0  0
  9 21  1  0  0  0  0
  9 53  1  0  0  0  0
 10 25  1  0  0  0  0
 10 32  1  0  0  0  0
 10 60  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12 42  1  0  0  0  0
 12 43  1  0  0  0  0
 13 16  2  0  0  0  0
 13 20  1  0  0  0  0
 14 18  1  0  0  0  0
 14 44  1  0  0  0  0
 14 45  1  0  0  0  0
 15 19  1  0  0  0  0
 15 46  1  0  0  0  0
 15 47  1  0  0  0  0
 16 17  1  0  0  0  0
 17 22  1  6  0  0  0
 17 48  1  0  0  0  0
 18 49  1  0  0  0  0
 18 50  1  0  0  0  0
 19 51  1  0  0  0  0
 19 52  1  0  0  0  0
 20 21  2  0  0  0  0
 20 24  1  0  0  0  0
 21 26  1  0  0  0  0
 22 54  1  0  0  0  0
 22 55  1  0  0  0  0
 23 28  1  0  0  0  0
 24 27  2  0  0  0  0
 24 56  1  0  0  0  0
 26 29  2  0  0  0  0
 26 57  1  0  0  0  0
 27 29  1  0  0  0  0
 27 58  1  0  0  0  0
 28 30  2  0  0  0  0
 28 31  1  0  0  0  0
 30 33  1  0  0  0  0
 30 61  1  0  0  0  0
 31 34  2  0  0  0  0
 31 62  1  0  0  0  0
 32 37  2  0  0  0  0
 32 38  1  0  0  0  0
 33 35  2  0  0  0  0
 33 63  1  0  0  0  0
 34 35  1  0  0  0  0
 34 64  1  0  0  0  0
 36 65  1  0  0  0  0
 36 66  1  0  0  0  0
 36 67  1  0  0  0  0
 37 39  1  0  0  0  0
 37 68  1  0  0  0  0
 38 40  2  0  0  0  0
 38 69  1  0  0  0  0
 39 41  2  0  0  0  0
 40 41  1  0  0  0  0
 40 70  1  0  0  0  0
 41 71  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
60186986

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
941

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7uYAAAAAAAAAAAAAAAAAAAWAAAAA8eMECAAAAAFgB9AAAHwAQCAAADizhng4zxvPJlgCoAyVyVACCiCAlIiAImSE+bNiOdvLEtZuUcShu1hvY6aeY2POPoAAAAgACAABAAAAEAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(1R)-2-(4-fluorobenzoyl)-N-(3-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]-1'-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
(1R)-N-(3-fluorophenyl)-2-[(4-fluorophenyl)-oxomethyl]-1-(hydroxymethyl)-7-methoxy-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]carboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
(1<I>R</I>)-2-(4-fluorobenzoyl)-<I>N</I>-(3-fluorophenyl)-1-(hydroxymethyl)-7-methoxyspiro[3,9-dihydro-1<I>H</I>-pyrido[3,4-b]indole-4,4&apos;-piperidine]-1&apos;-carboxamide

> <PUBCHEM_IUPAC_NAME>
(1R)-2-(4-fluorobenzoyl)-N-(3-fluorophenyl)-1-(hydroxymethyl)-7-methoxyspiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]-1'-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(1R)-N-(3-fluorophenyl)-2-(4-fluorophenyl)carbonyl-1-(hydroxymethyl)-7-methoxy-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]-1'-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(1R)-2-(4-fluorobenzoyl)-N-(3-fluorophenyl)-7-methoxy-1-methylol-spiro[3,9-dihydro-1H-beta-carboline-4,4'-piperidine]-1'-carboxamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C31H30F2N4O4/c1-41-23-9-10-24-25(16-23)35-28-26(17-38)37(29(39)19-5-7-20(32)8-6-19)18-31(27(24)28)11-13-36(14-12-31)30(40)34-22-4-2-3-21(33)15-22/h2-10,15-16,26,35,38H,11-14,17-18H2,1H3,(H,34,40)/t26-/m0/s1

> <PUBCHEM_IUPAC_INCHIKEY>
OZSXHBXZYRBSJV-SANMLTNESA-N

> <PUBCHEM_XLOGP3_AA>
3.8

> <PUBCHEM_EXACT_MASS>
560.22351178

> <PUBCHEM_MOLECULAR_FORMULA>
C31H30F2N4O4

> <PUBCHEM_MOLECULAR_WEIGHT>
560.6

> <PUBCHEM_OPENEYE_CAN_SMILES>
COC1=CC2=C(C=C1)C3=C(N2)C(N(CC34CCN(CC4)C(=O)NC5=CC(=CC=C5)F)C(=O)C6=CC=C(C=C6)F)CO

> <PUBCHEM_OPENEYE_ISO_SMILES>
COC1=CC2=C(C=C1)C3=C(N2)[C@@H](N(CC34CCN(CC4)C(=O)NC5=CC(=CC=C5)F)C(=O)C6=CC=C(C=C6)F)CO

> <PUBCHEM_CACTVS_TPSA>
97.9

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
560.22351178

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
41

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
1

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
13  16  8
13  20  8
17  22  6
20  21  8
20  24  8
21  26  8
24  27  8
26  29  8
27  29  8
28  30  8
28  31  8
30  33  8
31  34  8
32  37  8
32  38  8
33  35  8
34  35  8
37  39  8
38  40  8
39  41  8
40  41  8
9  16  8
9  21  8

$$$$