
 CHEMBL3810385

 73 78  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL3810385

>  <PubChem CID>
127043060

>  <Formula>
C31H37N5

>  <Molecular Weight>
479.672000

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

>  <XlogP>
6.4

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CCC1=NC2=C(N1CC3=CC4=C(C=C3)NC5=C(CC4)C=C(C=C5)CN6CCCCC6)N=C(C=C2C)C

>  <Isomeric SMILES>
CCC1=NC2=C(N1CC3=CC4=C(C=C3)NC5=C(CC4)C=C(C=C5)CN6CCCCC6)N=C(C=C2C)C

>  <InChI Std. ID>
InChI=1S/C31H37N5/c1-4-29-34-30-21(2)16-22(3)32-31(30)36(29)20-24-9-13-28-26(18-24)11-10-25-17-23(8-12-27(25)33-28)19-35-14-6-5-7-15-35/h8-9,12-13,16-18,33H,4-7,10-11,14-15,19-20H2,1-3H3

>  <InChI Key>
YFBWGDXTUXTMEM-UHFFFAOYSA-N

