67195764
  -OEChem-05132403512D

 70 73  0     1  0  0  0  0  0999 V2000
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    6.3301   -0.9717    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.1962    0.5283    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5981    1.0283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
> <PUBCHEM_COMPOUND_CID>
67195764

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
876

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
10

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7McAAAAAAAAAAAAAAAAAAAWAAAAA8YIAAAAAAAAAB0AAAHwAACAAADjzhmh4/8JMIEgCoAjd3dACCgCkxEiAJ2CE4dJiKcHLAnZGUYAhuhgLYyCfYmMKPgAACAAAQAAAAAAQAACAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-[4-(4-fluoro-2-methyl-phenyl)-6-[(2S,4R)-4-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]-3-pyridyl]-2-[3-fluoro-5-(trifluoromethyl)phenyl]-N,2-dimethyl-propanamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-[4-(4-fluoro-2-methylphenyl)-6-[(2S,4R)-4-hydroxy-2-(hydroxymethyl)-1-pyrrolidinyl]-3-pyridinyl]-2-[3-fluoro-5-(trifluoromethyl)phenyl]-N,2-dimethylpropanamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-[4-(4-fluoro-2-methylphenyl)-6-[(2<I>S</I>,4<I>R</I>)-4-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]pyridin-3-yl]-2-[3-fluoro-5-(trifluoromethyl)phenyl]-<I>N</I>,2-dimethylpropanamide

> <PUBCHEM_IUPAC_NAME>
N-[4-(4-fluoro-2-methylphenyl)-6-[(2S,4R)-4-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]pyridin-3-yl]-2-[3-fluoro-5-(trifluoromethyl)phenyl]-N,2-dimethylpropanamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-[4-(4-fluoranyl-2-methyl-phenyl)-6-[(2S,4R)-2-(hydroxymethyl)-4-oxidanyl-pyrrolidin-1-yl]pyridin-3-yl]-2-[3-fluoranyl-5-(trifluoromethyl)phenyl]-N,2-dimethyl-propanamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-[4-(4-fluoro-2-methyl-phenyl)-6-[(2S,4R)-4-hydroxy-2-methylol-pyrrolidino]-3-pyridyl]-2-[3-fluoro-5-(trifluoromethyl)phenyl]-N,2-dimethyl-propionamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C29H30F5N3O3/c1-16-7-19(30)5-6-23(16)24-12-26(37-14-22(39)11-21(37)15-38)35-13-25(24)36(4)27(40)28(2,3)17-8-18(29(32,33)34)10-20(31)9-17/h5-10,12-13,21-22,38-39H,11,14-15H2,1-4H3/t21-,22+/m0/s1

> <PUBCHEM_IUPAC_INCHIKEY>
DWUSUNYJUPLRBL-FCHUYYIVSA-N

> <PUBCHEM_XLOGP3_AA>
5.2

> <PUBCHEM_EXACT_MASS>
563.22073264

> <PUBCHEM_MOLECULAR_FORMULA>
C29H30F5N3O3

> <PUBCHEM_MOLECULAR_WEIGHT>
563.6

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=C(C=CC(=C1)F)C2=CC(=NC=C2N(C)C(=O)C(C)(C)C3=CC(=CC(=C3)F)C(F)(F)F)N4CC(CC4CO)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=C(C=CC(=C1)F)C2=CC(=NC=C2N(C)C(=O)C(C)(C)C3=CC(=CC(=C3)F)C(F)(F)F)N4C[C@@H](C[C@H]4CO)O

> <PUBCHEM_CACTVS_TPSA>
76.9

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
563.22073264

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
40

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
2

> <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>
10  17  8
10  22  8
12  16  5
17  18  8
18  19  8
19  20  8
20  22  8
24  29  8
24  32  8
25  30  8
25  31  8
29  34  8
30  33  8
31  35  8
32  37  8
33  38  8
34  39  8
35  38  8
37  39  8
14  6  6

$$$$