
 CHEMBL386706

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

>  <Chemical Name>
CHEMBL386706

>  <PubChem CID>
11238717

>  <Formula>
C30H26F4N6O3

>  <Molecular Weight>
594.571000

>  <IUPAC Name>
4-(5-fluoro-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>
4.3

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
C1CN(CCC1N2C3=C(C=C(C=C3)F)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=C(C=C3)F)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/C30H26F4N6O3/c31-19-10-11-24-22(16-19)35-29(43)40(24)20-12-14-38(15-13-20)28(42)37-26-27(41)39(17-30(32,33)34)23-9-5-4-8-21(23)25(36-26)18-6-2-1-3-7-18/h1-11,16,20,26H,12-15,17H2,(H,35,43)(H,37,42)/t26-/m0/s1

>  <InChI Key>
AMXWEDUPIXIKBU-SANMLTNESA-N

