
 CHEMBL3793395

 55 59  0  0  0  0  0  0  0  0999 V2000
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    3.2177    4.7262    0.4159 C   0  0  0  0  0
    3.2469    6.0625    0.3420 C   0  0  0  0  0
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   -0.0576   -0.8590    1.0440 H   0  0  0  0  0
   -0.0637   -0.2326   -0.6429 H   0  0  0  0  0
    0.3012    0.8470    0.7406 H   0  0  0  0  0
    6.1270   -0.3417   -0.0959 H   0  0  0  0  0
    6.2809    2.0944   -0.1252 H   0  0  0  0  0
    1.9517    2.3883    0.0575 H   0  0  0  0  0
    2.4021    4.2477    0.9453 H   0  0  0  0  0
    2.4569    6.6629    0.7826 H   0  0  0  0  0
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    5.3332    8.5423   -2.0033 H   0  0  0  0  0
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    3.2872   12.7445   -2.6857 H   0  0  0  0  0
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    1.0690   -4.2368    1.8417 H   0  0  0  0  0
    2.6927   -3.5592    1.9482 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3793395

>  <PubChem CID>
89691216

>  <Formula>
C25H24FN3O2

>  <Molecular Weight>
417.484000

>  <IUPAC Name>
1-(2-cyclopentyl-3-methylbenzimidazol-5-yl)-4-[(4-fluorophenyl)methoxy]pyridin-2-one

>  <XlogP>
4.4

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CN1C2=C(C=CC(=C2)N3C=CC(=CC3=O)OCC4=CC=C(C=C4)F)N=C1C5CCCC5

>  <Isomeric SMILES>
CN1C2=C(C=CC(=C2)N3C=CC(=CC3=O)OCC4=CC=C(C=C4)F)N=C1C5CCCC5

>  <InChI Std. ID>
InChI=1S/C25H24FN3O2/c1-28-23-14-20(10-11-22(23)27-25(28)18-4-2-3-5-18)29-13-12-21(15-24(29)30)31-16-17-6-8-19(26)9-7-17/h6-15,18H,2-5,16H2,1H3

>  <InChI Key>
AEPAWRLGXMNLFZ-UHFFFAOYSA-N

