60194073
  -OEChem-05062415132D

 70 75  0     1  0  0  0  0  0999 V2000
    8.9946    0.1230    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.3966   -3.3770    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1286    3.6230    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4110   -0.0106    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1286    1.6230    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    7.2626   -1.8770    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4503    1.9277    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2626    0.1230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1286    0.6230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3966   -0.3770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1286   -0.3770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3966    0.6230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3966    1.6230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2626    2.1230    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3966   -1.3770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1286   -1.3770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1286   -3.3770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4503    0.3183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6286   -4.2430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1286   -3.3770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2626   -2.8770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8667    1.1230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9946    2.1230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2626    3.1230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0430   -0.6337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1397    2.8783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8353    1.0316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8606    1.6230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0140   -0.7490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4060    0.0893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8606    0.6230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7267    2.1230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7267    0.1230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5927    1.6230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5927    0.6230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.9222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3406    0.0404    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7392    0.7307    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1845    0.2056    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7860   -0.4846    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7392   -0.4846    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3406    0.2056    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7995    2.4330    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7860   -1.2693    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1845   -1.9596    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3406   -1.9596    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7392   -1.2693    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2891   -2.7781    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1537   -4.6415    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1036   -4.6415    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7112   -3.5890    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2363   -2.7664    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3932    2.5980    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5961    2.5980    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0505    3.7056    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6520    3.0154    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4128   -1.1314    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7290    3.0709    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9471    3.4676    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5504    2.6856    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4771    1.5376    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7635   -1.3161    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1286    4.2430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7267    2.7430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7267   -0.4970    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1296    1.9330    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1296    0.3130    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4348   -0.6673    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7452   -1.4874    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5652   -1.1770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 31  1  0  0  0  0
  2 21  2  0  0  0  0
  3 24  1  0  0  0  0
  3 63  1  0  0  0  0
  4 30  1  0  0  0  0
  4 36  1  0  0  0  0
  5  9  1  0  0  0  0
  5 14  1  0  0  0  0
  5 23  1  0  0  0  0
  6 15  1  0  0  0  0
  6 16  1  0  0  0  0
  6 21  1  0  0  0  0
  7 13  1  0  0  0  0
  7 22  1  0  0  0  0
  7 26  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
  8 12  1  0  0  0  0
  9 37  1  0  0  0  0
  9 38  1  0  0  0  0
 10 15  1  0  0  0  0
 10 39  1  0  0  0  0
 10 40  1  0  0  0  0
 11 16  1  0  0  0  0
 11 41  1  0  0  0  0
 11 42  1  0  0  0  0
 12 13  2  0  0  0  0
 12 18  1  0  0  0  0
 13 14  1  0  0  0  0
 14 24  1  1  0  0  0
 14 43  1  0  0  0  0
 15 44  1  0  0  0  0
 15 45  1  0  0  0  0
 16 46  1  0  0  0  0
 16 47  1  0  0  0  0
 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
 17 21  1  0  0  0  0
 17 48  1  0  0  0  0
 18 22  2  0  0  0  0
 18 25  1  0  0  0  0
 19 20  1  0  0  0  0
 19 49  1  0  0  0  0
 19 50  1  0  0  0  0
 20 51  1  0  0  0  0
 20 52  1  0  0  0  0
 22 27  1  0  0  0  0
 23 28  1  0  0  0  0
 23 53  1  0  0  0  0
 23 54  1  0  0  0  0
 24 55  1  0  0  0  0
 24 56  1  0  0  0  0
 25 29  2  0  0  0  0
 25 57  1  0  0  0  0
 26 58  1  0  0  0  0
 26 59  1  0  0  0  0
 26 60  1  0  0  0  0
 27 30  2  0  0  0  0
 27 61  1  0  0  0  0
 28 31  1  0  0  0  0
 28 32  2  0  0  0  0
 29 30  1  0  0  0  0
 29 62  1  0  0  0  0
 31 33  2  0  0  0  0
 32 34  1  0  0  0  0
 32 64  1  0  0  0  0
 33 35  1  0  0  0  0
 33 65  1  0  0  0  0
 34 35  2  0  0  0  0
 34 66  1  0  0  0  0
 35 67  1  0  0  0  0
 36 68  1  0  0  0  0
 36 69  1  0  0  0  0
 36 70  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
60194073

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
801

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB7MQAAAAAAAAAAAAAAGAAAAWAAAAA8eIEAAAAAAFgB9AAAHwAACAAADyzhng4yxvMMFgCoAyVyVACCiCAhIiAI2CE+bJgOdvLEsZuUcChmxhnY6AeQ0PMPoAAAAgACAABAAAAEAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
cyclopropyl-[(1S)-2-[(2-fluorophenyl)methyl]-1-(hydroxymethyl)-7-methoxy-9-methyl-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]-1'-yl]methanone

> <PUBCHEM_IUPAC_CAS_NAME>
cyclopropyl-[(1S)-2-[(2-fluorophenyl)methyl]-1-(hydroxymethyl)-7-methoxy-9-methyl-1'-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]yl]methanone

> <PUBCHEM_IUPAC_NAME_MARKUP>
cyclopropyl-[(1<I>S</I>)-2-[(2-fluorophenyl)methyl]-1-(hydroxymethyl)-7-methoxy-9-methylspiro[1,3-dihydropyrido[3,4-b]indole-4,4&apos;-piperidine]-1&apos;-yl]methanone

> <PUBCHEM_IUPAC_NAME>
cyclopropyl-[(1S)-2-[(2-fluorophenyl)methyl]-1-(hydroxymethyl)-7-methoxy-9-methylspiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]-1'-yl]methanone

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
cyclopropyl-[(1S)-2-[(2-fluorophenyl)methyl]-1-(hydroxymethyl)-7-methoxy-9-methyl-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]-1'-yl]methanone

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
cyclopropyl-[(1S)-2-(2-fluorobenzyl)-7-methoxy-9-methyl-1-methylol-spiro[1,3-dihydro-beta-carboline-4,4'-piperidine]-1'-yl]methanone

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C29H34FN3O3/c1-31-24-15-21(36-2)9-10-22(24)26-27(31)25(17-34)33(16-20-5-3-4-6-23(20)30)18-29(26)11-13-32(14-12-29)28(35)19-7-8-19/h3-6,9-10,15,19,25,34H,7-8,11-14,16-18H2,1-2H3/t25-/m1/s1

> <PUBCHEM_IUPAC_INCHIKEY>
JPPSBCUJIYQEDT-RUZDIDTESA-N

> <PUBCHEM_XLOGP3_AA>
3.1

> <PUBCHEM_EXACT_MASS>
491.25842012

> <PUBCHEM_MOLECULAR_FORMULA>
C29H34FN3O3

> <PUBCHEM_MOLECULAR_WEIGHT>
491.6

> <PUBCHEM_OPENEYE_CAN_SMILES>
CN1C2=C(C=CC(=C2)OC)C3=C1C(N(CC34CCN(CC4)C(=O)C5CC5)CC6=CC=CC=C6F)CO

> <PUBCHEM_OPENEYE_ISO_SMILES>
CN1C2=C(C=CC(=C2)OC)C3=C1[C@H](N(CC34CCN(CC4)C(=O)C5CC5)CC6=CC=CC=C6F)CO

> <PUBCHEM_CACTVS_TPSA>
57.9

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
491.25842012

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
36

> <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>
12  13  8
12  18  8
14  24  5
18  22  8
18  25  8
22  27  8
25  29  8
27  30  8
28  31  8
28  32  8
29  30  8
31  33  8
32  34  8
33  35  8
34  35  8
7  13  8
7  22  8

$$$$