
 CHEMBL266017

 75 80  0  0  0  0  0  0  0  0999 V2000
    2.1090   -0.6084   -2.2742 C   0  0  0  0  0
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    6.7216    4.8391    1.7429 C   0  0  0  0  0
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    8.3352    8.1553    3.6450 C   0  0  0  0  0
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    7.3937    8.7839    6.4169 F   0  0  0  0  0
    9.5568    8.5666    6.3479 F   0  0  0  0  0
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    7.6499   12.7732    1.8748 F   0  0  0  0  0
    9.8094   12.5368    1.7739 F   0  0  0  0  0
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    1.4485    0.2370   -2.4975 H   0  0  0  0  0
    1.5002   -1.5162   -2.3276 H   0  0  0  0  0
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    4.3326    0.8855   -1.6076 H   0  0  0  0  0
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    3.6067   -1.2650    1.7144 H   0  0  0  0  0
    5.0581   -2.0749    1.1591 H   0  0  0  0  0
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    5.0240   -3.9377   -2.5750 H   0  0  0  0  0
    3.1452   -5.9357   -1.8140 H   0  0  0  0  0
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    0.2829   -4.6567    1.1454 H   0  0  0  0  0
    1.3188   -2.3976    1.2092 H   0  0  0  0  0
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    2.7482    3.3451    1.0390 H   0  0  0  0  0
    3.3571    3.7528   -0.5750 H   0  0  0  0  0
    4.8293    5.3564    0.2379 H   0  0  0  0  0
    3.5508    5.5076    1.4403 H   0  0  0  0  0
    6.2231    2.3121    2.1857 H   0  0  0  0  0
    4.5671    2.3432    2.7508 H   0  0  0  0  0
    4.7180    5.9472    3.4632 H   0  0  0  0  0
    3.7885    3.1222    4.4337 H   0  0  0  0  0
    3.4444    4.7207    5.1874 H   0  0  0  0  0
    5.9102    5.1073    5.4881 H   0  0  0  0  0
    6.2618    3.5200    4.6765 H   0  0  0  0  0
    6.0748    6.7935    1.9824 H   0  0  0  0  0
    8.1176    7.0146    0.4112 H   0  0  0  0  0
    8.9777    6.1932    1.7202 H   0  0  0  0  0
    8.3403    9.3830    0.4676 H   0  0  0  0  0
    8.6836   11.4982    4.2054 H   0  0  0  0  0
    8.2671    7.2089    4.1847 H   0  0  0  0  0
  1  2  1  0  0  0
  1 42  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL266017

>  <PubChem CID>
44425640

>  <Formula>
C32H34F6N2O

>  <Molecular Weight>
576.627000

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

>  <XlogP>
7.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
8

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

>  <Isomeric SMILES>
C[C@H]1CN(CC[C@]12C=CC3=CC=CC=C23)C4CCC(C4)(C5CC5)C(=O)NCC6=CC(=CC(=C6)C(F)(F)F)C(F)(F)F

>  <InChI Std. ID>
InChI=1S/C32H34F6N2O/c1-20-19-40(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(41)39-18-21-14-24(31(33,34)35)16-25(15-21)32(36,37)38/h2-5,8,10,14-16,20,23,26H,6-7,9,11-13,17-19H2,1H3,(H,39,41)/t20-,26?,29+,30?/m0/s1

>  <InChI Key>
PVVAQUKXSCGSNX-SBWCJTSWSA-N

