
 CHEMBL290768

 78 84  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL290768

>  <PubChem CID>
44283480

>  <Formula>
C37H31N7O2S

>  <Molecular Weight>
637.762000

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

>  <XlogP>
6.8

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CC(C)C1=NC2=C(C=C(C=C2)N(CC3=CC=CC=C3)C(=O)C4=CC=CS4)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=CS4)C(=O)N1CC5=CC=C(C=C5)C6=CC=CC=C6C7=NNN=N7

>  <InChI Std. ID>
InChI=1S/C37H31N7O2S/c1-24(2)35-38-32-19-18-28(43(22-25-9-4-3-5-10-25)37(46)33-13-8-20-47-33)21-31(32)36(45)44(35)23-26-14-16-27(17-15-26)29-11-6-7-12-30(29)34-39-41-42-40-34/h3-21,24H,22-23H2,1-2H3,(H,39,40,41,42)

>  <InChI Key>
BJEGHUOJTHEZOS-UHFFFAOYSA-N

