
 CHEMBL427307

 72 77  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL427307

>  <PubChem CID>
10816905

>  <Formula>
C34H29N5O4

>  <Molecular Weight>
571.637000

>  <IUPAC Name>
benzyl 1-(dimethylcarbamoyl)-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]indole-4-carboxylate

>  <XlogP>
5.0

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC1=NC2=C(N1CC3=CC=C(C=C3)C(=O)C4=CN(C5=CC=CC(=C54)C(=O)OCC6=CC=CC=C6)C(=O)N(C)C)C=CN=C2

>  <Isomeric SMILES>
CC1=NC2=C(N1CC3=CC=C(C=C3)C(=O)C4=CN(C5=CC=CC(=C54)C(=O)OCC6=CC=CC=C6)C(=O)N(C)C)C=CN=C2

>  <InChI Std. ID>
InChI=1S/C34H29N5O4/c1-22-36-28-18-35-17-16-29(28)38(22)19-23-12-14-25(15-13-23)32(40)27-20-39(34(42)37(2)3)30-11-7-10-26(31(27)30)33(41)43-21-24-8-5-4-6-9-24/h4-18,20H,19,21H2,1-3H3

>  <InChI Key>
CXQFJDRCEWRFQR-UHFFFAOYSA-N

