
 CHEMBL1222865

 77 81  0  0  0  0  0  0  0  0999 V2000
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    9.9864    1.7509    2.6359 H   0  0  0  0  0
    9.6953    2.1737    0.9885 H   0  0  0  0  0
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   14.8359   -3.6367    1.6640 H   0  0  0  0  0
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   17.0754   -0.4216    3.0673 H   0  0  0  0  0
   16.0847    0.1913    1.7476 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL1222865

>  <PubChem CID>
49865043

>  <Formula>
C29H40N6O2

>  <Molecular Weight>
504.679000

>  <IUPAC Name>
1-[3-(dimethylamino)propyl]-3-[1-[1-(pyridin-4-ylmethyl)piperidine-4-carbonyl]piperidin-4-yl]benzimidazol-2-one

>  <XlogP>
2.3

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CN(C)CCCN1C2=CC=CC=C2N(C1=O)C3CCN(CC3)C(=O)C4CCN(CC4)CC5=CC=NC=C5

>  <Isomeric SMILES>
CN(C)CCCN1C2=CC=CC=C2N(C1=O)C3CCN(CC3)C(=O)C4CCN(CC4)CC5=CC=NC=C5

>  <InChI Std. ID>
InChI=1S/C29H40N6O2/c1-31(2)16-5-17-34-26-6-3-4-7-27(26)35(29(34)37)25-12-20-33(21-13-25)28(36)24-10-18-32(19-11-24)22-23-8-14-30-15-9-23/h3-4,6-9,14-15,24-25H,5,10-13,16-22H2,1-2H3

>  <InChI Key>
APPCPYUGJBDNJO-UHFFFAOYSA-N

