
 CHEMBL287374

 71 77  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL287374

>  <PubChem CID>
44459611

>  <Formula>
C33H28N8O2

>  <Molecular Weight>
568.641000

>  <IUPAC Name>
6-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]-5-methyl-2-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-4,5-dihydropyridazin-3-one

>  <XlogP>
5.2

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CC1CC(=O)N(N=C1C2=CC3=C(C=C2)N=C(N3)C4=CC=C(C=C4)OC)CC5=CC=C(C=C5)C6=CC=CC=C6C7=NNN=N7

>  <Isomeric SMILES>
CC1CC(=O)N(N=C1C2=CC3=C(C=C2)N=C(N3)C4=CC=C(C=C4)OC)CC5=CC=C(C=C5)C6=CC=CC=C6C7=NNN=N7

>  <InChI Std. ID>
InChI=1S/C33H28N8O2/c1-20-17-30(42)41(19-21-7-9-22(10-8-21)26-5-3-4-6-27(26)33-36-39-40-37-33)38-31(20)24-13-16-28-29(18-24)35-32(34-28)23-11-14-25(43-2)15-12-23/h3-16,18,20H,17,19H2,1-2H3,(H,34,35)(H,36,37,39,40)

>  <InChI Key>
BLOPDJCCPUCMPV-UHFFFAOYSA-N

