
 CHEMBL3793625

 52 56  0  0  0  0  0  0  0  0999 V2000
    2.6854   -0.3853   -1.8276 C   0  0  0  0  0
    2.7344    0.0311   -0.3685 C   0  0  0  0  0
    3.2639    1.3687   -0.1965 N   0  0  0  0  0
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    1.1442    2.7851   -0.2762 C   0  0  0  0  0
   -0.7221    4.4025   -0.2726 N   0  0  0  0  0
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    7.0625    1.2395   -0.7069 C   0  0  0  0  0
    6.9801    1.0745    0.7714 C   0  0  0  0  0
    2.2478   -1.3835   -1.9225 H   0  0  0  0  0
    3.6883   -0.4087   -2.2659 H   0  0  0  0  0
    2.0798    0.3106   -2.4179 H   0  0  0  0  0
    3.3479   -0.6606    0.2171 H   0  0  0  0  0
    1.7305    0.0046    0.0688 H   0  0  0  0  0
    3.7269    5.6429    0.3885 H   0  0  0  0  0
    1.3382    6.1671    0.1822 H   0  0  0  0  0
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    5.5378   -0.2988   -0.2236 H   0  0  0  0  0
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    7.5155    0.2495    1.2252 H   0  0  0  0  0
    6.9574    1.9732    1.3789 H   0  0  0  0  0
  1  2  1  0  0  0
  1 31  1  0  0  0
  1 32  1  0  0  0
  1 33  1  0  0  0
  2  3  1  0  0  0
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  2 35  1  0  0  0
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  3  4  1  0  0  0
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  4  9  1  0  0  0
  5  6  1  0  0  0
  5 26  1  0  0  0
  6  7  2  0  0  0
  6 36  1  0  0  0
  7  8  1  0  0  0
  7 37  1  0  0  0
  8  9  2  0  0  0
  8 10  1  0  0  0
  9 38  1  0  0  0
 10 11  1  0  0  0
 10 15  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3793625

>  <PubChem CID>
89691247

>  <Formula>
C24H22ClN3O2

>  <Molecular Weight>
419.909000

>  <IUPAC Name>
4-[(4-chlorophenyl)methoxy]-1-(2-cyclopropyl-3-ethylbenzimidazol-5-yl)pyridin-2-one

>  <XlogP>
4.2

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CCN1C2=C(C=CC(=C2)N3C=CC(=CC3=O)OCC4=CC=C(C=C4)Cl)N=C1C5CC5

>  <Isomeric SMILES>
CCN1C2=C(C=CC(=C2)N3C=CC(=CC3=O)OCC4=CC=C(C=C4)Cl)N=C1C5CC5

>  <InChI Std. ID>
InChI=1S/C24H22ClN3O2/c1-2-27-22-13-19(9-10-21(22)26-24(27)17-5-6-17)28-12-11-20(14-23(28)29)30-15-16-3-7-18(25)8-4-16/h3-4,7-14,17H,2,5-6,15H2,1H3

>  <InChI Key>
HGMHZLGJIPRCMS-UHFFFAOYSA-N

