
 CHEMBL489588

 75 79  0  0  0  0  0  0  0  0999 V2000
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    1.3326    1.7070    4.4376 H   0  0  0  0  0
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    4.8187    1.0903    0.3404 H   0  0  0  0  0
    9.0977    1.3978   -1.1735 H   0  0  0  0  0
   11.0568    2.9179   -1.4428 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL489588

>  <PubChem CID>
44579811

>  <Formula>
C29H38N6O2

>  <Molecular Weight>
502.663000

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

>  <XlogP>
3.5

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CCC(C(=O)N1CCN(CC1)C2CCN(CC2)C)NC(=O)C3=NC4=CC=CC=C4N3CC5=CC=CC=C5

>  <Isomeric SMILES>
CCC(C(=O)N1CCN(CC1)C2CCN(CC2)C)NC(=O)C3=NC4=CC=CC=C4N3CC5=CC=CC=C5

>  <InChI Std. ID>
InChI=1S/C29H38N6O2/c1-3-24(29(37)34-19-17-33(18-20-34)23-13-15-32(2)16-14-23)31-28(36)27-30-25-11-7-8-12-26(25)35(27)21-22-9-5-4-6-10-22/h4-12,23-24H,3,13-21H2,1-2H3,(H,31,36)

>  <InChI Key>
CKRRVTHRMWCRLQ-UHFFFAOYSA-N

