
 CHEMBL425807

 65 69  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL425807

>  <PubChem CID>
11497403

>  <Formula>
C26H27F3N6O3

>  <Molecular Weight>
528.536000

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

>  <XlogP>
2.8

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
C1CN(CCC1N2CCNC2=O)C(=O)NC3C(=O)N(C4=CC=CC=C4C(=N3)C5=CC=CC=C5)CC(F)(F)F

>  <Isomeric SMILES>
C1CN(CCC1N2CCNC2=O)C(=O)N[C@H]3C(=O)N(C4=CC=CC=C4C(=N3)C5=CC=CC=C5)CC(F)(F)F

>  <InChI Std. ID>
InChI=1S/C26H27F3N6O3/c27-26(28,29)16-35-20-9-5-4-8-19(20)21(17-6-2-1-3-7-17)31-22(23(35)36)32-25(38)33-13-10-18(11-14-33)34-15-12-30-24(34)37/h1-9,18,22H,10-16H2,(H,30,37)(H,32,38)/t22-/m0/s1

>  <InChI Key>
AGPAHEBTBWWURI-QFIPXVFZSA-N

