
 CHEMBL503202

 81 86  0  0  0  0  0  0  0  0999 V2000
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    3.1156   -0.0800   -1.9014 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL503202

>  <PubChem CID>
136036237

>  <Formula>
C34H35F3N6O3

>  <Molecular Weight>
632.688000

>  <IUPAC Name>
(7S)-2-(3-acetamidopyrrolidin-1-yl)-7-butan-2-yl-6-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]-5,7-dihydrobenzimidazolo[1,2-d][1,4]benzodiazepine-11-carboxamide

>  <XlogP>
5.2

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
CCC(C)C1C(=O)NC2=C(C=C(C=C2)N3CCC(C3)NC(=O)C)C4=NC5=C(N14)C=CC(=C5)C(=O)NCC6=CC(=CC=C6)C(F)(F)F

>  <Isomeric SMILES>
CCC(C)[C@H]1C(=O)NC2=C(C=C(C=C2)N3CCC(C3)NC(=O)C)C4=NC5=C(N14)C=CC(=C5)C(=O)NCC6=CC(=CC=C6)C(F)(F)F

>  <InChI Std. ID>
InChI=1S/C34H35F3N6O3/c1-4-19(2)30-33(46)41-27-10-9-25(42-13-12-24(18-42)39-20(3)44)16-26(27)31-40-28-15-22(8-11-29(28)43(30)31)32(45)38-17-21-6-5-7-23(14-21)34(35,36)37/h5-11,14-16,19,24,30H,4,12-13,17-18H2,1-3H3,(H,38,45)(H,39,44)(H,41,46)/t19?,24?,30-/m0/s1

>  <InChI Key>
GLKQJMFNFORNFC-RXQDXVOQSA-N

