
 CHEMBL244370

 79 82  0  0  0  0  0  0  0  0999 V2000
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    0.8617    4.5864    3.9518 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL244370

>  <PubChem CID>
16756187

>  <Formula>
C31H42FN3O2

>  <Molecular Weight>
507.694000

>  <IUPAC Name>
1-(4-fluorophenyl)-N-[3-[4-[2-methyl-5-(2-methylpropanoylamino)phenyl]piperidin-1-yl]propyl]cyclopentane-1-carboxamide

>  <XlogP>
5.9

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC1=C(C=C(C=C1)NC(=O)C(C)C)C2CCN(CC2)CCCNC(=O)C3(CCCC3)C4=CC=C(C=C4)F

>  <Isomeric SMILES>
CC1=C(C=C(C=C1)NC(=O)C(C)C)C2CCN(CC2)CCCNC(=O)C3(CCCC3)C4=CC=C(C=C4)F

>  <InChI Std. ID>
InChI=1S/C31H42FN3O2/c1-22(2)29(36)34-27-12-7-23(3)28(21-27)24-13-19-35(20-14-24)18-6-17-33-30(37)31(15-4-5-16-31)25-8-10-26(32)11-9-25/h7-12,21-22,24H,4-6,13-20H2,1-3H3,(H,33,37)(H,34,36)

>  <InChI Key>
BMVZQYRVHRLKTR-UHFFFAOYSA-N

