
 CHEMBL290669

 81 87  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL290669

>  <PubChem CID>
15780090

>  <Formula>
C39H33N7O2

>  <Molecular Weight>
631.740000

>  <IUPAC Name>
N-benzyl-N-[4-oxo-2-propan-2-yl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]quinazolin-6-yl]benzamide

>  <XlogP>
6.8

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC(C)C1=NC2=C(C=C(C=C2)N(CC3=CC=CC=C3)C(=O)C4=CC=CC=C4)C(=O)N1CC5=CC=C(C=C5)C6=CC=CC=C6C7=NNN=N7

>  <Isomeric SMILES>
CC(C)C1=NC2=C(C=C(C=C2)N(CC3=CC=CC=C3)C(=O)C4=CC=CC=C4)C(=O)N1CC5=CC=C(C=C5)C6=CC=CC=C6C7=NNN=N7

>  <InChI Std. ID>
InChI=1S/C39H33N7O2/c1-26(2)37-40-35-22-21-31(45(24-27-11-5-3-6-12-27)38(47)30-13-7-4-8-14-30)23-34(35)39(48)46(37)25-28-17-19-29(20-18-28)32-15-9-10-16-33(32)36-41-43-44-42-36/h3-23,26H,24-25H2,1-2H3,(H,41,42,43,44)

>  <InChI Key>
AXBAKKNMVBYNSI-UHFFFAOYSA-N

