
 CHEMBL502480

 91 97  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL502480

>  <PubChem CID>
135869412

>  <Formula>
C37H45N7O2

>  <Molecular Weight>
619.814000

>  <IUPAC Name>
(7S)-2-(4-benzylpiperazin-1-yl)-N-methyl-N-(1-methylpiperidin-4-yl)-6-oxo-7-propan-2-yl-5,7-dihydrobenzimidazolo[1,2-d][1,4]benzodiazepine-11-carboxamide

>  <XlogP>
5.0

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC(C)C1C(=O)NC2=C(C=C(C=C2)N3CCN(CC3)CC4=CC=CC=C4)C5=NC6=C(N15)C=CC(=C6)C(=O)N(C)C7CCN(CC7)C

>  <Isomeric SMILES>
CC(C)[C@H]1C(=O)NC2=C(C=C(C=C2)N3CCN(CC3)CC4=CC=CC=C4)C5=NC6=C(N15)C=CC(=C6)C(=O)N(C)C7CCN(CC7)C

>  <InChI Std. ID>
InChI=1S/C37H45N7O2/c1-25(2)34-36(45)39-31-12-11-29(43-20-18-42(19-21-43)24-26-8-6-5-7-9-26)23-30(31)35-38-32-22-27(10-13-33(32)44(34)35)37(46)41(4)28-14-16-40(3)17-15-28/h5-13,22-23,25,28,34H,14-21,24H2,1-4H3,(H,39,45)/t34-/m0/s1

>  <InChI Key>
VWGBZQIJWXMOED-UMSFTDKQSA-N

