60194069
  -OEChem-05072404592D

 70 75  0     1  0  0  0  0  0999 V2000
    8.9946    0.1730    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.1286    3.6730    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3966   -3.3270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4110    0.0394    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1286    1.6730    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    7.2626   -1.8270    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4503    1.9777    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2626    0.1730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1286    0.6730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3966   -0.3270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1286   -0.3270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3966    0.6730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2626    2.1730    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3966    1.6730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3966   -1.3270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1286   -1.3270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4503    0.3682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1286   -3.3270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2626   -2.8270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9946    2.1730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8667    1.1730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2626    3.1730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3874   -4.2930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0945   -3.0682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3534   -4.0341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0430   -0.5837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8353    1.0815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8606    1.6730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0140   -0.6990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4060    0.1392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8606    0.6730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7267    2.1730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7267    0.1730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5927    1.6730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5927    0.6730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.8722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3406    0.0904    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7392    0.7806    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1845    0.2556    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7860   -0.4347    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7392   -0.4347    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3406    0.2556    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7995    2.4830    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7860   -1.2194    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1845   -1.9096    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3406   -1.9096    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7392   -1.2194    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2095   -2.7123    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2577    2.5670    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3932    2.6479    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5961    2.6479    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0505    3.7556    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6520    3.0653    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7886   -4.4534    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5479   -4.8918    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6934   -2.9078    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9341   -2.4693    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5138   -4.6330    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9522   -3.8737    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4128   -1.0814    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4771    1.5876    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7635   -1.2662    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1286    4.2930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7267    2.7930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7267   -0.4470    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1296    1.9830    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1296    0.3630    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4348   -0.6174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7452   -1.4374    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5652   -1.1271    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 31  1  0  0  0  0
  2 22  1  0  0  0  0
  2 63  1  0  0  0  0
  3 19  2  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 13  1  0  0  0  0
  5 20  1  0  0  0  0
  6 15  1  0  0  0  0
  6 16  1  0  0  0  0
  6 19  1  0  0  0  0
  7 14  1  0  0  0  0
  7 21  1  0  0  0  0
  7 49  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 14  2  0  0  0  0
 12 17  1  0  0  0  0
 13 14  1  0  0  0  0
 13 22  1  1  0  0  0
 13 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 21  2  0  0  0  0
 17 26  1  0  0  0  0
 18 19  1  0  0  0  0
 18 23  1  0  0  0  0
 18 24  1  0  0  0  0
 18 48  1  0  0  0  0
 20 28  1  0  0  0  0
 20 50  1  0  0  0  0
 20 51  1  0  0  0  0
 21 27  1  0  0  0  0
 22 52  1  0  0  0  0
 22 53  1  0  0  0  0
 23 25  1  0  0  0  0
 23 54  1  0  0  0  0
 23 55  1  0  0  0  0
 24 25  1  0  0  0  0
 24 56  1  0  0  0  0
 24 57  1  0  0  0  0
 25 58  1  0  0  0  0
 25 59  1  0  0  0  0
 26 29  2  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>
60194069

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
786

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB7MQAAAAAAAAAAAAAAAABgAWAAAAA8eIEAAAAAAFgB9AAAHwAQCAAADyzhng4yxvPJlgCoAyVyVACCiCAhIiAImSE+bJgOdvLEsZuUcChm1hnY6AeY0PMPoAAAAgACAABAAAAEAAQAAAAAAAAAAA==

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

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

> <PUBCHEM_IUPAC_NAME_MARKUP>
cyclobutyl-[(1<I>S</I>)-2-[(2-fluorophenyl)methyl]-1-(hydroxymethyl)-7-methoxyspiro[3,9-dihydro-1<I>H</I>-pyrido[3,4-b]indole-4,4&apos;-piperidine]-1&apos;-yl]methanone

> <PUBCHEM_IUPAC_NAME>
cyclobutyl-[(1S)-2-[(2-fluorophenyl)methyl]-1-(hydroxymethyl)-7-methoxyspiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]-1'-yl]methanone

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

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C29H34FN3O3/c1-36-21-9-10-22-24(15-21)31-27-25(17-34)33(16-20-5-2-3-8-23(20)30)18-29(26(22)27)11-13-32(14-12-29)28(35)19-6-4-7-19/h2-3,5,8-10,15,19,25,31,34H,4,6-7,11-14,16-18H2,1H3/t25-/m1/s1

> <PUBCHEM_IUPAC_INCHIKEY>
PWIJFPSUOJRBBT-RUZDIDTESA-N

> <PUBCHEM_XLOGP3_AA>
3.7

> <PUBCHEM_EXACT_MASS>
491.25842012

> <PUBCHEM_MOLECULAR_FORMULA>
C29H34FN3O3

> <PUBCHEM_MOLECULAR_WEIGHT>
491.6

> <PUBCHEM_OPENEYE_CAN_SMILES>
COC1=CC2=C(C=C1)C3=C(N2)C(N(CC34CCN(CC4)C(=O)C5CCC5)CC6=CC=CC=C6F)CO

> <PUBCHEM_OPENEYE_ISO_SMILES>
COC1=CC2=C(C=C1)C3=C(N2)[C@H](N(CC34CCN(CC4)C(=O)C5CCC5)CC6=CC=CC=C6F)CO

> <PUBCHEM_CACTVS_TPSA>
68.8

> <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  14  8
12  17  8
13  22  5
17  21  8
17  26  8
21  27  8
26  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  14  8
7  21  8

$$$$