60193679
  -OEChem-04262410252D

 74 79  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
    8.9946    4.1900    0.0000 O   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
    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
    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
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    8.1286    0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2626    3.1900    0.0000 C   0  0  1  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
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    9.8606    2.6900    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
    4.8667    2.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1195    1.7241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8266    2.9488    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
   11.0854    1.9829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8353    2.0986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.1286   -3.3100    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
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    9.5206    1.5636    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2799    1.1252    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4255    3.1093    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
    5.7290    4.1379    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.6655   -2.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5652   -0.1100    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
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  2 21  2  0  0  0  0
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 15 25  1  1  0  0  0
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 17 47  1  0  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 22  2  0  0  0  0
 19 27  1  0  0  0  0
 20 21  1  0  0  0  0
 20 23  1  0  0  0  0
 20 24  1  0  0  0  0
 20 51  1  0  0  0  0
 22 29  1  0  0  0  0
 23 26  1  0  0  0  0
 23 52  1  0  0  0  0
 23 53  1  0  0  0  0
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 25 57  1  0  0  0  0
 26 58  1  0  0  0  0
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 35 71  1  0  0  0  0
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 39 74  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
60193679

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
909

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB7uQAAAAAAAAAAAAAAAABgAWAAAAA8eIEAAAAAAFgB9AAAHwAQCAAADyzhng4zxvPMFgCoAyVyVACCiCAhIiAI2CE+bJiOdvLEsZuUcChu1hvY6CeY0PMPoAAAAgACAABAAAAEAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(1S)-2-(cyclobutanecarbonyl)-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>
(1S)-2-[cyclobutyl(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_MARKUP>
(1<I>S</I>)-2-(cyclobutanecarbonyl)-<I>N</I>-(3-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-9-methylspiro[1,3-dihydropyrido[3,4-b]indole-4,4&apos;-piperidine]-1&apos;-carboxamide

> <PUBCHEM_IUPAC_NAME>
(1S)-2-(cyclobutanecarbonyl)-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>
(1S)-2-cyclobutylcarbonyl-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>
(1S)-2-(cyclobutanecarbonyl)-N-(3-fluorophenyl)-7-methoxy-9-methyl-1-methylol-spiro[1,3-dihydro-beta-carboline-4,4'-piperidine]-1'-carboxamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C30H35FN4O4/c1-33-24-16-22(39-2)9-10-23(24)26-27(33)25(17-36)35(28(37)19-5-3-6-19)18-30(26)11-13-34(14-12-30)29(38)32-21-8-4-7-20(31)15-21/h4,7-10,15-16,19,25,36H,3,5-6,11-14,17-18H2,1-2H3,(H,32,38)/t25-/m1/s1

> <PUBCHEM_IUPAC_INCHIKEY>
NYYDDXSWBPZSMN-RUZDIDTESA-N

> <PUBCHEM_XLOGP3_AA>
3

> <PUBCHEM_EXACT_MASS>
534.26423377

> <PUBCHEM_MOLECULAR_FORMULA>
C30H35FN4O4

> <PUBCHEM_MOLECULAR_WEIGHT>
534.6

> <PUBCHEM_OPENEYE_CAN_SMILES>
CN1C2=C(C=CC(=C2)OC)C3=C1C(N(CC34CCN(CC4)C(=O)NC5=CC(=CC=C5)F)C(=O)C6CCC6)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)C6CCC6)CO

> <PUBCHEM_CACTVS_TPSA>
87

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
534.26423377

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
39

> <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  16  8
12  19  8
15  25  5
19  22  8
19  27  8
22  29  8
27  31  8
29  32  8
31  32  8
33  35  8
33  36  8
35  37  8
36  38  8
37  39  8
38  39  8
7  16  8
7  22  8

$$$$