
 CHEMBL230933

 74 78  0  0  0  0  0  0  0  0999 V2000
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    5.0726   -3.8271   -1.9541 H   0  0  0  0  0
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    2.4392    3.6797    0.8581 H   0  0  0  0  0
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    3.3185    5.7945    1.1528 H   0  0  0  0  0
    5.6836    2.5683    2.4510 H   0  0  0  0  0
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    3.4805    5.2041    3.4534 H   0  0  0  0  0
    6.2118    5.1134    4.7947 H   0  0  0  0  0
    5.1232    3.7123    4.7069 H   0  0  0  0  0
    4.6161    5.1848    5.5257 H   0  0  0  0  0
    5.8555    7.1292    3.3134 H   0  0  0  0  0
    4.3573    7.3467    4.2244 H   0  0  0  0  0
    4.3170    7.3444    2.4621 H   0  0  0  0  0
    7.1436    3.8706    3.3299 H   0  0  0  0  0
    8.9833    5.7635    2.5092 H   0  0  0  0  0
    9.1494    4.4449    1.3440 H   0  0  0  0  0
    9.0682    1.9752    2.5560 H   0  0  0  0  0
   11.7238    1.8565    5.9610 H   0  0  0  0  0
   10.4519    5.6258    4.4001 H   0  0  0  0  0
  1  2  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL230933

>  <PubChem CID>
44425645

>  <Formula>
C31H36F4N2O

>  <Molecular Weight>
528.636000

>  <IUPAC Name>
(1S,3R)-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-3-[(1S,3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]-1-propan-2-ylcyclopentane-1-carboxamide

>  <XlogP>
7.3

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC1CN(CCC12C=CC3=CC=CC=C23)C4CCC(C4)(C(C)C)C(=O)NCC5=CC(=CC(=C5)F)C(F)(F)F

>  <Isomeric SMILES>
C[C@H]1CN(CC[C@]12C=CC3=CC=CC=C23)[C@@H]4CC[C@](C4)(C(C)C)C(=O)NCC5=CC(=CC(=C5)F)C(F)(F)F

>  <InChI Std. ID>
InChI=1S/C31H36F4N2O/c1-20(2)30(28(38)36-18-22-14-24(31(33,34)35)16-25(32)15-22)11-9-26(17-30)37-13-12-29(21(3)19-37)10-8-23-6-4-5-7-27(23)29/h4-8,10,14-16,20-21,26H,9,11-13,17-19H2,1-3H3,(H,36,38)/t21-,26+,29+,30-/m0/s1

>  <InChI Key>
BWWUOZUJVUFGJV-KAXVLVORSA-N

