
 CHEMBL3809413

 75 80  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL3809413

>  <PubChem CID>
9935504

>  <Formula>
C31H38N6

>  <Molecular Weight>
494.687000

>  <IUPAC Name>
3-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-8-[(4-methylpiperazin-1-yl)methyl]-6,11-dihydro-5H-benzo[b][1]benzazepine

>  <XlogP>
5.4

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CCC1=NC2=C(N1CC3=CC4=C(C=C3)NC5=C(CC4)C=C(C=C5)CN6CCN(CC6)C)N=C(C=C2C)C

>  <Isomeric SMILES>
CCC1=NC2=C(N1CC3=CC4=C(C=C3)NC5=C(CC4)C=C(C=C5)CN6CCN(CC6)C)N=C(C=C2C)C

>  <InChI Std. ID>
InChI=1S/C31H38N6/c1-5-29-34-30-21(2)16-22(3)32-31(30)37(29)20-24-7-11-28-26(18-24)9-8-25-17-23(6-10-27(25)33-28)19-36-14-12-35(4)13-15-36/h6-7,10-11,16-18,33H,5,8-9,12-15,19-20H2,1-4H3

>  <InChI Key>
INKZQGYAHPSKHM-UHFFFAOYSA-N

