
 CHEMBL118793

 57 61  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL118793

>  <PubChem CID>
10342483

>  <Formula>
C24H25N7O

>  <Molecular Weight>
427.512000

>  <IUPAC Name>
1,8-dimethyl-5-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-3-propan-2-yl-6H-pyrazolo[3,4-b][1,4]diazepin-7-one

>  <XlogP>
2.9

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1=NC2=C(N1C3=CC=C(C=C3)C4=NC5=C(N(C(=O)C4)C)N(N=C5C(C)C)C)C=CN=C2

>  <Isomeric SMILES>
CC1=NC2=C(N1C3=CC=C(C=C3)C4=NC5=C(N(C(=O)C4)C)N(N=C5C(C)C)C)C=CN=C2

>  <InChI Std. ID>
InChI=1S/C24H25N7O/c1-14(2)22-23-24(30(5)28-22)29(4)21(32)12-18(27-23)16-6-8-17(9-7-16)31-15(3)26-19-13-25-11-10-20(19)31/h6-11,13-14H,12H2,1-5H3

>  <InChI Key>
BPNPMMVCCDWIJE-UHFFFAOYSA-N

