
 CHEMBL381798

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

>  <Chemical Name>
CHEMBL381798

>  <PubChem CID>
11365194

>  <Formula>
C30H27F3N6O3

>  <Molecular Weight>
576.580000

>  <IUPAC Name>
4-(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>
4.2

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
C1CN(CCC1N2C3=CC=CC=C3NC2=O)C(=O)NC4C(=O)N(C5=CC=CC=C5C(=N4)C6=CC=CC=C6)CC(F)(F)F

>  <Isomeric SMILES>
C1CN(CCC1N2C3=CC=CC=C3NC2=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/C30H27F3N6O3/c31-30(32,33)18-38-23-12-6-4-10-21(23)25(19-8-2-1-3-9-19)35-26(27(38)40)36-28(41)37-16-14-20(15-17-37)39-24-13-7-5-11-22(24)34-29(39)42/h1-13,20,26H,14-18H2,(H,34,42)(H,36,41)/t26-/m0/s1

>  <InChI Key>
AXTGDADPVWGFHK-SANMLTNESA-N

