
 CHEMBL437359

 72 77  0  0  0  0  0  0  0  0999 V2000
    1.6513   -0.5434   -1.9888 C   0  0  0  0  0
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    9.4282    8.9019    1.9124 C   0  0  0  0  0
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    5.8757   12.3289    1.2209 F   0  0  0  0  0
    6.7454   12.1521   -0.7640 F   0  0  0  0  0
    5.2172   10.7468   -0.1151 F   0  0  0  0  0
    1.0128    0.3044   -2.2610 H   0  0  0  0  0
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    3.0516   -1.0239    2.0419 H   0  0  0  0  0
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    4.5422   -3.8971   -2.1147 H   0  0  0  0  0
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   -0.3137   -4.4200    1.4877 H   0  0  0  0  0
    0.7709   -2.1831    1.5275 H   0  0  0  0  0
    5.1751    2.6068   -0.0327 H   0  0  0  0  0
    2.4796    3.6897    0.9740 H   0  0  0  0  0
    3.1336    3.8365   -0.6667 H   0  0  0  0  0
    4.8035    5.3311   -0.0269 H   0  0  0  0  0
    3.4902    5.8365    1.0149 H   0  0  0  0  0
    5.8458    2.5238    2.3024 H   0  0  0  0  0
    4.1930    2.7355    2.8531 H   0  0  0  0  0
    5.3967    4.9075    4.1303 H   0  0  0  0  0
    3.4563    6.9862    2.7726 H   0  0  0  0  0
    4.0787    7.0189    4.4704 H   0  0  0  0  0
    3.0402    4.7728    4.8944 H   0  0  0  0  0
    2.4365    4.7268    3.1868 H   0  0  0  0  0
    6.1497    6.9086    2.2812 H   0  0  0  0  0
    8.4712    6.3886    0.5392 H   0  0  0  0  0
    8.7486    6.3879    2.2902 H   0  0  0  0  0
    6.3295    8.6846    0.5200 H   0  0  0  0  0
    8.7525   12.1731    1.3030 H   0  0  0  0  0
   10.2411    8.2999    2.3109 H   0  0  0  0  0
  1  2  1  0  0  0
  1 39  1  0  0  0
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  1 41  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL437359

>  <PubChem CID>
44425652

>  <Formula>
C31H34F4N2O

>  <Molecular Weight>
526.620000

>  <IUPAC Name>
(1S,3R)-1-cyclopropyl-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-3-[(1S,3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]cyclopentane-1-carboxamide

>  <XlogP>
7.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC1CN(CCC12C=CC3=CC=CC=C23)C4CCC(C4)(C5CC5)C(=O)NCC6=CC(=CC(=C6)F)C(F)(F)F

>  <Isomeric SMILES>
C[C@H]1CN(CC[C@]12C=CC3=CC=CC=C23)[C@@H]4CC[C@](C4)(C5CC5)C(=O)NCC6=CC(=CC(=C6)F)C(F)(F)F

>  <InChI Std. ID>
InChI=1S/C31H34F4N2O/c1-20-19-37(13-12-29(20)10-8-22-4-2-3-5-27(22)29)26-9-11-30(17-26,23-6-7-23)28(38)36-18-21-14-24(31(33,34)35)16-25(32)15-21/h2-5,8,10,14-16,20,23,26H,6-7,9,11-13,17-19H2,1H3,(H,36,38)/t20-,26+,29+,30-/m0/s1

>  <InChI Key>
RXHGFTDZRGDCPK-PATLUPQASA-N

