
 CHEMBL377270

 68 73  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL377270

>  <PubChem CID>
44413271

>  <Formula>
C31H28F4N4O

>  <Molecular Weight>
548.586000

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

>  <XlogP>
6.2

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
7

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

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

>  <InChI Std. ID>
InChI=1S/C31H28F4N4O/c32-25-16-27-26(15-24(25)31(33,34)35)37-30(38-27)28(21-10-12-39(13-11-21)17-18-4-5-18)20-8-6-19(7-9-20)22-2-1-3-23(14-22)29(36)40/h1-3,6-9,14-16,18H,4-5,10-13,17H2,(H2,36,40)(H,37,38)

>  <InChI Key>
AGMAFERLZIQTJG-UHFFFAOYSA-N

