
 CHEMBL230721

 77 81  0  0  0  0  0  0  0  0999 V2000
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    1.7316    0.9935   -0.0765 H   0  0  0  0  0
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    2.0031   -3.4590   -1.9076 H   0  0  0  0  0
    0.7558   -5.7153   -0.7262 H   0  0  0  0  0
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    0.5281   -2.8639    3.3765 H   0  0  0  0  0
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    1.7311    3.7416    1.0926 H   0  0  0  0  0
    3.5712    5.1852    0.8384 H   0  0  0  0  0
    3.1089    5.5272    2.4878 H   0  0  0  0  0
    5.5090    2.0767    1.9638 H   0  0  0  0  0
    4.4490    2.2827    3.3639 H   0  0  0  0  0
    4.3264    4.4359    4.3928 H   0  0  0  0  0
    7.3454    4.2175    3.9436 H   0  0  0  0  0
    6.2910    2.8865    4.4352 H   0  0  0  0  0
    6.4859    4.2865    5.4805 H   0  0  0  0  0
    6.3251    6.5344    3.4198 H   0  0  0  0  0
    5.4400    6.4912    4.9409 H   0  0  0  0  0
    4.5723    6.7592    3.4345 H   0  0  0  0  0
    4.8458    3.8799   -0.2966 H   0  0  0  0  0
    7.6759    3.9676   -0.8074 H   0  0  0  0  0
    6.9275    5.5505   -1.0163 H   0  0  0  0  0
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  1  2  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL230721

>  <PubChem CID>
44425633

>  <Formula>
C32H36F6N2O

>  <Molecular Weight>
578.643000

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

>  <XlogP>
8.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
8

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

>  <InChI Std. ID>
InChI=1S/C32H36F6N2O/c1-20(2)30(28(41)39-18-22-14-24(31(33,34)35)16-25(15-22)32(36,37)38)11-9-26(17-30)40-13-12-29(21(3)19-40)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,39,41)/t21-,26+,29+,30-/m0/s1

>  <InChI Key>
FWCVWNSKPMLGCW-KAXVLVORSA-N

