
 CHEMBL522789

 63 67  0  0  0  0  0  0  0  0999 V2000
    2.8619    0.1727   -2.2199 C   0  0  0  0  0
    2.4642    1.4280   -1.6006 N   0  0  0  0  0
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    5.4490    1.3866    1.8033 O   0  0  0  0  0
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    7.1668    4.4729    1.2853 N   0  0  0  0  0
    7.8833    5.1852    2.2122 C   0  0  0  0  0
    8.6477    6.3491    2.0440 C   0  0  0  0  0
    9.3203    6.8824    3.1501 C   0  0  0  0  0
    9.2271    6.2721    4.4018 C   0  0  0  0  0
    8.4560    5.1194    4.5919 C   0  0  0  0  0
    7.7962    4.5979    3.4706 C   0  0  0  0  0
    6.9682    3.5108    3.2815 N   0  0  0  0  0
    6.5385    2.5933    4.3284 C   0  0  0  0  0
    5.3034    3.0535    5.0730 C   0  0  0  0  0
    4.2537    3.7520    4.4544 C   0  0  0  0  0
    3.1121    4.1134    5.1732 C   0  0  0  0  0
    2.9916    3.7676    6.5159 C   0  0  0  0  0
    4.0115    3.0564    7.1411 C   0  0  0  0  0
    5.1565    2.6983    6.4249 C   0  0  0  0  0
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    2.1573   -0.0924   -3.0130 H   0  0  0  0  0
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    0.5527    1.4305   -2.4389 H   0  0  0  0  0
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    0.8601    2.4211    1.1385 H   0  0  0  0  0
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   -3.3086   -3.8520    3.4401 H   0  0  0  0  0
   -3.4267   -2.8588    5.7448 H   0  0  0  0  0
   -2.2597   -0.6560    6.0619 H   0  0  0  0  0
    5.2165    1.9187   -1.9179 H   0  0  0  0  0
    4.9081    0.7956   -0.5543 H   0  0  0  0  0
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    4.2972    4.0255    3.4027 H   0  0  0  0  0
    2.3127    4.6584    4.6763 H   0  0  0  0  0
    2.0982    4.0436    7.0693 H   0  0  0  0  0
    3.9126    2.7726    8.1854 H   0  0  0  0  0
    5.9328    2.1293    6.9322 H   0  0  0  0  0
  1  2  1  0  0  0
  1 38  1  0  0  0
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  2 16  1  0  0  0
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  3 42  1  0  0  0
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  4  9  1  0  0  0
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  6 44  1  0  0  0
  7  8  1  0  0  0
  7 10  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL522789

>  <PubChem CID>
44579968

>  <Formula>
C29H26N6O2

>  <Molecular Weight>
490.567000

>  <IUPAC Name>
1-benzyl-N-[2-[methyl-[(4-pyrimidin-2-ylphenyl)methyl]amino]-2-oxoethyl]benzimidazole-2-carboxamide

>  <XlogP>
3.6

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CN(CC1=CC=C(C=C1)C2=NC=CC=N2)C(=O)CNC(=O)C3=NC4=CC=CC=C4N3CC5=CC=CC=C5

>  <Isomeric SMILES>
CN(CC1=CC=C(C=C1)C2=NC=CC=N2)C(=O)CNC(=O)C3=NC4=CC=CC=C4N3CC5=CC=CC=C5

>  <InChI Std. ID>
InChI=1S/C29H26N6O2/c1-34(19-22-12-14-23(15-13-22)27-30-16-7-17-31-27)26(36)18-32-29(37)28-33-24-10-5-6-11-25(24)35(28)20-21-8-3-2-4-9-21/h2-17H,18-20H2,1H3,(H,32,37)

>  <InChI Key>
ZYOUDYPMRFJNRP-UHFFFAOYSA-N

