60192375
  -OEChem-05092401312D

 69 74  0     1  0  0  0  0  0999 V2000
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   13.4977    4.1471    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5840    0.5135    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
> <PUBCHEM_COMPOUND_CID>
60192375

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
1060

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
8

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7uYBAAAAAAAAAAAAAAABYAWAAAAA8YMEAAAAAAFgB9AAAHwQQSAAADizh3g4zx/PMFgKoAyRiVHDCiDAhIiAI2Dg+bJiOduLE8ZuUcChu1hvY6CeQ0PMPoAAAAgACAABAAAAEAAQAAAAAAAAAAA==

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

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

> <PUBCHEM_IUPAC_NAME_MARKUP>
(1<I>R</I>)-<I>N</I>-(4-fluorophenyl)-1&apos;-(3-fluorophenyl)sulfonyl-1-(hydroxymethyl)-7-methoxy-9-methylspiro[1,3-dihydropyrido[3,4-b]indole-4,3&apos;-azetidine]-2-carboxamide

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

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

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C29H28F2N4O5S/c1-33-24-13-21(40-2)10-11-23(24)26-27(33)25(14-36)35(28(37)32-20-8-6-18(30)7-9-20)17-29(26)15-34(16-29)41(38,39)22-5-3-4-19(31)12-22/h3-13,25,36H,14-17H2,1-2H3,(H,32,37)/t25-/m0/s1

> <PUBCHEM_IUPAC_INCHIKEY>
YITWWQDZWGTIQI-VWLOTQADSA-N

> <PUBCHEM_XLOGP3_AA>
2.7

> <PUBCHEM_EXACT_MASS>
582.17484750

> <PUBCHEM_MOLECULAR_FORMULA>
C29H28F2N4O5S

> <PUBCHEM_MOLECULAR_WEIGHT>
582.6

> <PUBCHEM_OPENEYE_CAN_SMILES>
CN1C2=C(C=CC(=C2)OC)C3=C1C(N(CC34CN(C4)S(=O)(=O)C5=CC=CC(=C5)F)C(=O)NC6=CC=C(C=C6)F)CO

> <PUBCHEM_OPENEYE_ISO_SMILES>
CN1C2=C(C=CC(=C2)OC)C3=C1[C@@H](N(CC34CN(C4)S(=O)(=O)C5=CC=CC(=C5)F)C(=O)NC6=CC=C(C=C6)F)CO

> <PUBCHEM_CACTVS_TPSA>
113

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
582.17484750

> <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>
11  18  8
11  21  8
16  18  8
16  20  8
19  22  6
20  21  8
20  24  8
21  27  8
24  28  8
25  30  8
25  31  8
27  29  8
28  29  8
30  34  8
31  33  8
32  36  8
32  37  8
33  35  8
34  35  8
36  39  8
37  40  8
39  41  8
40  41  8

$$$$