
 CHEMBL484469

 76 80  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL484469

>  <PubChem CID>
44579927

>  <Formula>
C29H40N6O

>  <Molecular Weight>
488.680000

>  <IUPAC Name>
2-[(1-benzylbenzimidazol-2-yl)methyl-ethylamino]-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]ethanone

>  <XlogP>
3.2

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CCN(CC1=NC2=CC=CC=C2N1CC3=CC=CC=C3)CC(=O)N4CCN(CC4)C5CCN(CC5)C

>  <Isomeric SMILES>
CCN(CC1=NC2=CC=CC=C2N1CC3=CC=CC=C3)CC(=O)N4CCN(CC4)C5CCN(CC5)C

>  <InChI Std. ID>
InChI=1S/C29H40N6O/c1-3-32(23-29(36)34-19-17-33(18-20-34)25-13-15-31(2)16-14-25)22-28-30-26-11-7-8-12-27(26)35(28)21-24-9-5-4-6-10-24/h4-12,25H,3,13-23H2,1-2H3

>  <InChI Key>
FLGLCLDVIXXHPF-UHFFFAOYSA-N

