
 CHEMBL484468

 67 71  0  0  0  0  0  0  0  0999 V2000
    5.5535    0.4372   -1.0526 C   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL484468

>  <PubChem CID>
44579926

>  <Formula>
C28H32N6O

>  <Molecular Weight>
468.605000

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

>  <XlogP>
3.3

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CCN(CC1=NC2=CC=CC=C2N1CC3=CC=CC=C3)CC(=O)N4CCN(CC4)C5=CC=NC=C5

>  <Isomeric SMILES>
CCN(CC1=NC2=CC=CC=C2N1CC3=CC=CC=C3)CC(=O)N4CCN(CC4)C5=CC=NC=C5

>  <InChI Std. ID>
InChI=1S/C28H32N6O/c1-2-31(22-28(35)33-18-16-32(17-19-33)24-12-14-29-15-13-24)21-27-30-25-10-6-7-11-26(25)34(27)20-23-8-4-3-5-9-23/h3-15H,2,16-22H2,1H3

>  <InChI Key>
ZAWHVIATEKHWAO-UHFFFAOYSA-N

