60193892
  -OEChem-05231310312D

 71 76  0     1  0  0  0  0  0999 V2000
    6.3966   -5.3100    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3966    4.6900    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
    5.4503    2.9947    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
    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
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    8.9946    3.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3607    1.8240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8607    2.6900    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
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    2.0000    0.1448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.7995    3.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0211    3.2889    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.1845   -0.8926    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4433    2.4780    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9683    3.3006    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8857    1.4255    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4128   -0.0644    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    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
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    8.1286   -5.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 36  1  0  0  0  0
  2 20  2  0  0  0  0
  3 25  1  0  0  0  0
  3 63  1  0  0  0  0
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 14 41  1  0  0  0  0
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 19 48  1  0  0  0  0
 21 22  1  0  0  0  0
 21 53  1  0  0  0  0
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 30 62  1  0  0  0  0
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 38 71  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
60193892

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
894

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB7uQAAAAAAAAAAAAAAGAAAAWAAAAA8eIEAAAAAAFgB9AAAHwAQCAAADyzhng4zxvPMFgCoAyVyVACCiCAhIiAI2CE+bJiOdvLEsZuUcChu1hvY6CeQ0PMPoAAAAgACAABAAAAEAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(1R)-2-(cyclopropanecarbonyl)-N-(3-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-9-methyl-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]-1'-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
(1R)-2-[cyclopropyl(oxo)methyl]-N-(3-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-9-methyl-1'-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]carboxamide

> <PUBCHEM_IUPAC_NAME>
(1R)-2-(cyclopropanecarbonyl)-N-(3-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-9-methylspiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]-1'-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(1R)-2-cyclopropylcarbonyl-N-(3-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-9-methyl-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]-1'-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(1R)-2-(cyclopropanecarbonyl)-N-(3-fluorophenyl)-7-methoxy-9-methyl-1-methylol-spiro[1,3-dihydro-$b-carboline-4,4'-piperidine]-1'-carboxamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C29H33FN4O4/c1-32-23-15-21(38-2)8-9-22(23)25-26(32)24(16-35)34(27(36)18-6-7-18)17-29(25)10-12-33(13-11-29)28(37)31-20-5-3-4-19(30)14-20/h3-5,8-9,14-15,18,24,35H,6-7,10-13,16-17H2,1-2H3,(H,31,37)/t24-/m0/s1

> <PUBCHEM_IUPAC_INCHIKEY>
HNVLXZZOEGSFII-DEOSSOPVSA-N

> <PUBCHEM_XLOGP3_AA>
2.4

> <PUBCHEM_EXACT_MASS>
520.248584

> <PUBCHEM_MOLECULAR_FORMULA>
C29H33FN4O4

> <PUBCHEM_MOLECULAR_WEIGHT>
520.595123

> <PUBCHEM_OPENEYE_CAN_SMILES>
CN1C2=C(C=CC(=C2)OC)C3=C1C(N(CC34CCN(CC4)C(=O)NC5=CC(=CC=C5)F)C(=O)C6CC6)CO

> <PUBCHEM_OPENEYE_ISO_SMILES>
CN1C2=C(C=CC(=C2)OC)C3=C1[C@@H](N(CC34CCN(CC4)C(=O)NC5=CC(=CC=C5)F)C(=O)C6CC6)CO

> <PUBCHEM_CACTVS_TPSA>
87

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
520.248584

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
38

> <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>
2

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
12  16  8
12  23  8
15  25  6
23  24  8
23  26  8
24  28  8
26  30  8
28  31  8
30  31  8
32  34  8
32  35  8
34  36  8
35  37  8
36  38  8
37  38  8
7  16  8
7  24  8

$$$$