
 CHEMBL3955601

 59 63  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL3955601

>  <PubChem CID>
70918868

>  <Formula>
C25H28N6

>  <Molecular Weight>
412.541000

>  <IUPAC Name>
2-[1-(6-benzyl-4,5-dimethylpyridazin-3-yl)-4-methylpiperidin-4-yl]-1H-imidazo[4,5-b]pyridine

>  <XlogP>
4.6

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1=C(C(=NN=C1CC2=CC=CC=C2)N3CCC(CC3)(C)C4=NC5=C(N4)C=CC=N5)C

>  <Isomeric SMILES>
CC1=C(C(=NN=C1CC2=CC=CC=C2)N3CCC(CC3)(C)C4=NC5=C(N4)C=CC=N5)C

>  <InChI Std. ID>
InChI=1S/C25H28N6/c1-17-18(2)23(30-29-21(17)16-19-8-5-4-6-9-19)31-14-11-25(3,12-15-31)24-27-20-10-7-13-26-22(20)28-24/h4-10,13H,11-12,14-16H2,1-3H3,(H,26,27,28)

>  <InChI Key>
ACGRNOUTQGLSMF-UHFFFAOYSA-N

