
 CHEMBL328641

 65 69  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL328641

>  <PubChem CID>
10742816

>  <Formula>
C25H31N5O4

>  <Molecular Weight>
465.554000

>  <IUPAC Name>
N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]ethyl]-2-oxo-3-propan-2-ylbenzimidazole-1-carboxamide

>  <XlogP>
3.0

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC(C)N1C2=CC=CC=C2N(C1=O)C(=O)NCCN3CCN(CC3)CC4=CC5=C(C=C4)OCO5

>  <Isomeric SMILES>
CC(C)N1C2=CC=CC=C2N(C1=O)C(=O)NCCN3CCN(CC3)CC4=CC5=C(C=C4)OCO5

>  <InChI Std. ID>
InChI=1S/C25H31N5O4/c1-18(2)29-20-5-3-4-6-21(20)30(25(29)32)24(31)26-9-10-27-11-13-28(14-12-27)16-19-7-8-22-23(15-19)34-17-33-22/h3-8,15,18H,9-14,16-17H2,1-2H3,(H,26,31)

>  <InChI Key>
DFQXKEOLEVYFLU-UHFFFAOYSA-N

