
 SCHEMBL6046468

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M  END

>  <Chemical Name>
SCHEMBL6046468

>  <PubChem CID>
9890683

>  <Formula>
C30H35N5

>  <Molecular Weight>
465.645000

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

>  <XlogP>
6.1

>  <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)CN6CCCC6)N=C(C=C2C)C

>  <Isomeric SMILES>
CCC1=NC2=C(N1CC3=CC4=C(C=C3)NC5=C(CC4)C=C(C=C5)CN6CCCC6)N=C(C=C2C)C

>  <InChI Std. ID>
InChI=1S/C30H35N5/c1-4-28-33-29-20(2)15-21(3)31-30(29)35(28)19-23-8-12-27-25(17-23)10-9-24-16-22(7-11-26(24)32-27)18-34-13-5-6-14-34/h7-8,11-12,15-17,32H,4-6,9-10,13-14,18-19H2,1-3H3

>  <InChI Key>
VVQPSLPIXXBFHY-UHFFFAOYSA-N

