
 CHEMBL211672

 65 70  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL211672

>  <PubChem CID>
44413283

>  <Formula>
C31H25F5N4

>  <Molecular Weight>
548.561000

>  <IUPAC Name>
3-[4-[[1-(cyclopropylmethyl)piperidin-4-ylidene]-[5-fluoro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]methyl]phenyl]-4-fluorobenzonitrile

>  <XlogP>
7.2

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
C1CC1CN2CCC(=C(C3=CC=C(C=C3)C4=C(C=CC(=C4)C#N)F)C5=NC6=C(N5)C=C(C(=C6)F)C(F)(F)F)CC2

>  <Isomeric SMILES>
C1CC1CN2CCC(=C(C3=CC=C(C=C3)C4=C(C=CC(=C4)C#N)F)C5=NC6=C(N5)C=C(C(=C6)F)C(F)(F)F)CC2

>  <InChI Std. ID>
InChI=1S/C31H25F5N4/c32-25-8-3-19(16-37)13-23(25)20-4-6-21(7-5-20)29(22-9-11-40(12-10-22)17-18-1-2-18)30-38-27-14-24(31(34,35)36)26(33)15-28(27)39-30/h3-8,13-15,18H,1-2,9-12,17H2,(H,38,39)

>  <InChI Key>
BZQBSCFCACXBMZ-UHFFFAOYSA-N

