69379727
  -OEChem-05082405382D

 70 73  0     1  0  0  0  0  0999 V2000
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   10.2295   -4.1135    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.9717    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603   -1.4717    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    8.9282   -1.4717    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.5283    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7648   -2.4662    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   10.0216   -3.1353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.9282    0.5283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.0283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -0.9717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.0283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.0283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    1.5283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9641   -0.3377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320    0.5283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.5283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660    1.0283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.4717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.5283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    3.0283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.2638   -0.5280    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6931   -2.6095    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4468   -3.3676    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6019   -2.2051    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312    0.3383    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.5252    3.3383    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 33  1  0  0  0  0
  2 34  1  0  0  0  0
  3 34  1  0  0  0  0
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  5 40  1  0  0  0  0
 14  6  1  6  0  0  0
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 21 22  2  0  0  0  0
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M  END
> <PUBCHEM_COMPOUND_CID>
69379727

> <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>
AAADceB7McAAAAAAAAAAAAAAAAAAAWAAAAA8YIAAAAAAAAAB0AAAHwAACAAADjzhmh4/8JMIEgCoAjd3dACCgCkxEiAJ2CE4dJiKcHLAnZGUYAhuhgLYyCfYmMKPgAAAAAAQAAAAAAAAACAAAAAAAAAAAA==

> <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-2-(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-2-(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-2-(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-2-(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-2-(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-2-(trifluoromethyl)phenyl]-N,2-dimethyl-propionamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C29H30F5N3O3/c1-16-10-17(30)8-9-20(16)21-12-25(37-14-19(39)11-18(37)15-38)35-13-24(21)36(4)27(40)28(2,3)22-6-5-7-23(31)26(22)29(32,33)34/h5-10,12-13,18-19,38-39H,11,14-15H2,1-4H3/t18-,19+/m0/s1

> <PUBCHEM_IUPAC_INCHIKEY>
SYCUDBAZWJJQDV-RBUKOAKNSA-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=C(C(=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=C(C(=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  20  8
20  21  8
21  22  8
24  28  8
24  31  8
25  30  8
25  32  8
28  33  8
30  36  8
31  35  8
32  39  8
33  37  8
35  37  8
36  40  8
39  40  8
14  6  6

$$$$