
 CHEMBL523266

 70 75  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL523266

>  <PubChem CID>
44579866

>  <Formula>
C30H32N6O2

>  <Molecular Weight>
508.626000

>  <IUPAC Name>
[1-(1-benzylbenzimidazole-2-carbonyl)piperidin-4-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone

>  <XlogP>
3.3

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1CN(CCC1C(=O)N2CCN(CC2)C3=CC=NC=C3)C(=O)C4=NC5=CC=CC=C5N4CC6=CC=CC=C6

>  <Isomeric SMILES>
C1CN(CCC1C(=O)N2CCN(CC2)C3=CC=NC=C3)C(=O)C4=NC5=CC=CC=C5N4CC6=CC=CC=C6

>  <InChI Std. ID>
InChI=1S/C30H32N6O2/c37-29(35-20-18-33(19-21-35)25-10-14-31-15-11-25)24-12-16-34(17-13-24)30(38)28-32-26-8-4-5-9-27(26)36(28)22-23-6-2-1-3-7-23/h1-11,14-15,24H,12-13,16-22H2

>  <InChI Key>
JTXJODQXRHMMBE-UHFFFAOYSA-N

