
 SCHEMBL4326230

 69 72  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
SCHEMBL4326230

>  <PubChem CID>
57970302

>  <Formula>
C27H37N5

>  <Molecular Weight>
431.628000

>  <IUPAC Name>
2-ethyl-5,7-dimethyl-3-[[4-[(E)-3-(4-propan-2-ylpiperazin-1-yl)prop-1-enyl]phenyl]methyl]imidazo[4,5-b]pyridine

>  <XlogP>
5.0

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CCC1=NC2=C(N1CC3=CC=C(C=C3)C=CCN4CCN(CC4)C(C)C)N=C(C=C2C)C

>  <Isomeric SMILES>
CCC1=NC2=C(N1CC3=CC=C(C=C3)/C=C/CN4CCN(CC4)C(C)C)N=C(C=C2C)C

>  <InChI Std. ID>
InChI=1S/C27H37N5/c1-6-25-29-26-21(4)18-22(5)28-27(26)32(25)19-24-11-9-23(10-12-24)8-7-13-30-14-16-31(17-15-30)20(2)3/h7-12,18,20H,6,13-17,19H2,1-5H3/b8-7+

>  <InChI Key>
UAMIBPKKKLTAKG-BQYQJAHWSA-N

