
 CHEMBL490406

 66 70  0  0  0  0  0  0  0  0999 V2000
    3.1298   -1.2679   -0.2481 C   0  0  0  0  0
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    2.9591   -2.3149    0.0215 H   0  0  0  0  0
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    0.6553    3.6136    3.2517 H   0  0  0  0  0
    1.7850    2.6872    4.2468 H   0  0  0  0  0
   -3.7078    1.1907    2.0803 H   0  0  0  0  0
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    8.5182   -1.3682   -6.4291 H   0  0  0  0  0
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  1  2  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL490406

>  <PubChem CID>
44579796

>  <Formula>
C28H30N6O2

>  <Molecular Weight>
482.588000

>  <IUPAC Name>
1-benzyl-N-[1-oxo-1-(4-pyridin-4-ylpiperazin-1-yl)butan-2-yl]benzimidazole-2-carboxamide

>  <XlogP>
3.6

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CCC(C(=O)N1CCN(CC1)C2=CC=NC=C2)NC(=O)C3=NC4=CC=CC=C4N3CC5=CC=CC=C5

>  <Isomeric SMILES>
CCC(C(=O)N1CCN(CC1)C2=CC=NC=C2)NC(=O)C3=NC4=CC=CC=C4N3CC5=CC=CC=C5

>  <InChI Std. ID>
InChI=1S/C28H30N6O2/c1-2-23(28(36)33-18-16-32(17-19-33)22-12-14-29-15-13-22)31-27(35)26-30-24-10-6-7-11-25(24)34(26)20-21-8-4-3-5-9-21/h3-15,23H,2,16-20H2,1H3,(H,31,35)

>  <InChI Key>
JBYAAIASXHWJON-UHFFFAOYSA-N

