
 CHEMBL386204

 69 74  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL386204

>  <PubChem CID>
44416437

>  <Formula>
C30H26ClF3N6O3

>  <Molecular Weight>
611.022000

>  <IUPAC Name>
4-(4-chloro-2-oxo-3H-benzimidazol-1-yl)-N-[(3R)-2-oxo-5-phenyl-1-(2,2,2-trifluoroethyl)-3H-1,4-benzodiazepin-3-yl]piperidine-1-carboxamide

>  <XlogP>
4.9

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
C1CN(CCC1N2C3=C(C(=CC=C3)Cl)NC2=O)C(=O)NC4C(=O)N(C5=CC=CC=C5C(=N4)C6=CC=CC=C6)CC(F)(F)F

>  <Isomeric SMILES>
C1CN(CCC1N2C3=C(C(=CC=C3)Cl)NC2=O)C(=O)N[C@H]4C(=O)N(C5=CC=CC=C5C(=N4)C6=CC=CC=C6)CC(F)(F)F

>  <InChI Std. ID>
InChI=1S/C30H26ClF3N6O3/c31-21-10-6-12-23-25(21)36-29(43)40(23)19-13-15-38(16-14-19)28(42)37-26-27(41)39(17-30(32,33)34)22-11-5-4-9-20(22)24(35-26)18-7-2-1-3-8-18/h1-12,19,26H,13-17H2,(H,36,43)(H,37,42)/t26-/m0/s1

>  <InChI Key>
CNTHOEWPBZJQQV-SANMLTNESA-N

