
 CHEMBL490626

 72 76  0  0  0  0  0  0  0  0999 V2000
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   10.6153    1.4980   -6.0305 H   0  0  0  0  0
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    8.6319    2.7390   -7.2434 H   0  0  0  0  0
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    4.5441   -1.4983   -8.7545 H   0  0  0  0  0
    3.6238   -0.1880  -11.3759 H   0  0  0  0  0
    2.7777   -1.5215  -10.5753 H   0  0  0  0  0
    5.4652   -1.6158  -11.8484 H   0  0  0  0  0
    9.1391   -3.1893  -13.7933 H   0  0  0  0  0
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    1.9728   -5.8320  -11.6332 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL490626

>  <PubChem CID>
24946267

>  <Formula>
C28H36N6O2

>  <Molecular Weight>
488.636000

>  <IUPAC Name>
1-benzyl-N-[3-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-oxopropyl]benzimidazole-2-carboxamide

>  <XlogP>
2.5

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CN1CCC(CC1)N2CCN(CC2)C(=O)CCNC(=O)C3=NC4=CC=CC=C4N3CC5=CC=CC=C5

>  <Isomeric SMILES>
CN1CCC(CC1)N2CCN(CC2)C(=O)CCNC(=O)C3=NC4=CC=CC=C4N3CC5=CC=CC=C5

>  <InChI Std. ID>
InChI=1S/C28H36N6O2/c1-31-15-12-23(13-16-31)32-17-19-33(20-18-32)26(35)11-14-29-28(36)27-30-24-9-5-6-10-25(24)34(27)21-22-7-3-2-4-8-22/h2-10,23H,11-21H2,1H3,(H,29,36)

>  <InChI Key>
CCDPIPBMPBOSKQ-UHFFFAOYSA-N

