
 CHEMBL3793700

 52 56  0  0  0  0  0  0  0  0999 V2000
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    4.0650    4.3726   -0.2178 N   0  0  0  0  0
    2.9197    5.0817    0.1517 C   0  0  0  0  0
    2.8318    6.4137    0.0601 C   0  0  0  0  0
    3.9408    7.1909   -0.4228 C   0  0  0  0  0
    5.0672    6.5649   -0.7841 C   0  0  0  0  0
    5.1811    5.0794   -0.7234 C   0  0  0  0  0
    6.2307    4.6053   -1.1575 O   0  0  0  0  0
    3.6893    8.5418   -0.4431 O   0  0  0  0  0
    4.7396    9.3930   -0.9071 C   0  0  0  0  0
    4.2783   10.8314   -0.8716 C   0  0  0  0  0
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    3.1357   14.8006   -0.7451 F   0  0  0  0  0
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    2.4568   -3.6461    1.4248 C   0  0  0  0  0
    0.1848   -0.6129    0.6955 H   0  0  0  0  0
    0.3363   -0.5690   -1.0946 H   0  0  0  0  0
    0.3756    0.9435   -0.1455 H   0  0  0  0  0
    6.3591    0.3489    0.3315 H   0  0  0  0  0
    6.2734    2.7839    0.1618 H   0  0  0  0  0
    1.9631    2.6178   -0.3353 H   0  0  0  0  0
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    5.6224    9.2976   -0.2628 H   0  0  0  0  0
    3.7316   10.7935    1.2244 H   0  0  0  0  0
    3.0439   13.1813    1.2824 H   0  0  0  0  0
    4.0379   13.6002   -2.8616 H   0  0  0  0  0
    4.7344   11.2234   -2.9573 H   0  0  0  0  0
    1.0353   -2.8352   -0.0786 H   0  0  0  0  0
    3.9885   -3.7582   -0.7169 H   0  0  0  0  0
    2.5135   -4.2110   -1.6004 H   0  0  0  0  0
    1.5970   -5.4141    0.3898 H   0  0  0  0  0
    3.3201   -5.6196    0.8023 H   0  0  0  0  0
    1.6719   -3.6772    2.1862 H   0  0  0  0  0
    3.4049   -3.3845    1.9102 H   0  0  0  0  0
  1  2  1  0  0  0
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  1 32  1  0  0  0
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  2 26  1  0  0  0
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  5  6  2  0  0  0
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  6  7  1  0  0  0
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  7  8  2  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3793700

>  <PubChem CID>
89691193

>  <Formula>
C24H22FN3O2

>  <Molecular Weight>
403.457000

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

>  <XlogP>
3.9

>  <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=C1C5CCC5

>  <Isomeric SMILES>
CN1C2=C(C=CC(=C2)N3C=CC(=CC3=O)OCC4=CC=C(C=C4)F)N=C1C5CCC5

>  <InChI Std. ID>
InChI=1S/C24H22FN3O2/c1-27-22-13-19(9-10-21(22)26-24(27)17-3-2-4-17)28-12-11-20(14-23(28)29)30-15-16-5-7-18(25)8-6-16/h5-14,17H,2-4,15H2,1H3

>  <InChI Key>
FRJYKDRDGZNEJI-UHFFFAOYSA-N

