
 CHEMBL3809977

 53 57  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL3809977

>  <PubChem CID>
127043394

>  <Formula>
C25H24N4

>  <Molecular Weight>
380.495000

>  <IUPAC Name>
3-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-11H-benzo[b][1]benzazepine

>  <XlogP>
5.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CCC1=NC2=C(N1CC3=CC4=C(C=C3)NC5=CC=CC=C5C=C4)N=C(C=C2C)C

>  <Isomeric SMILES>
CCC1=NC2=C(N1CC3=CC4=C(C=C3)NC5=CC=CC=C5C=C4)N=C(C=C2C)C

>  <InChI Std. ID>
InChI=1S/C25H24N4/c1-4-23-28-24-16(2)13-17(3)26-25(24)29(23)15-18-9-12-22-20(14-18)11-10-19-7-5-6-8-21(19)27-22/h5-14,27H,4,15H2,1-3H3

>  <InChI Key>
QAYZCHHFHNPKMC-UHFFFAOYSA-N

