
 CHEMBL368657

 68 72  0  0  0  0  0  0  0  0999 V2000
    6.1391    6.2744   -3.9937 C   0  0  0  0  0
    5.9698    4.8791   -3.4658 C   0  0  0  0  0
    6.0965    3.8727   -4.3642 N   0  0  0  0  0
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    5.6187    1.0932   -1.9534 N   0  0  0  0  0
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    0.5730    3.7629    0.6558 C   0  0  0  0  0
    1.3658    4.8113    0.1773 C   0  0  0  0  0
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   -0.9744    4.4179   -6.5352 C   0  0  0  0  0
    6.1289    1.5033   -4.9978 C   0  0  0  0  0
    6.5304    6.2579   -5.0163 H   0  0  0  0  0
    6.8465    6.8339   -3.3731 H   0  0  0  0  0
    5.1760    6.7933   -4.0007 H   0  0  0  0  0
    5.5702    5.5159   -1.4330 H   0  0  0  0  0
    5.7500    0.6869    1.3137 H   0  0  0  0  0
    5.7570   -0.5697    0.0784 H   0  0  0  0  0
    4.2191    0.1345    0.5859 H   0  0  0  0  0
    5.3854    4.4000    0.7451 H   0  0  0  0  0
    5.2604    2.8605    1.5764 H   0  0  0  0  0
    3.0205    1.7260    1.8432 H   0  0  0  0  0
    0.5744    1.8722    1.7046 H   0  0  0  0  0
    0.9143    5.6923   -0.2735 H   0  0  0  0  0
    3.3519    5.5227   -0.1973 H   0  0  0  0  0
    0.1655    4.0239   -2.2827 H   0  0  0  0  0
   -4.2356    5.4699   -4.0694 H   0  0  0  0  0
   -6.2553    5.7071   -2.6475 H   0  0  0  0  0
   -6.0846    5.4938   -0.1977 H   0  0  0  0  0
   -2.8029    5.0446    3.6000 H   0  0  0  0  0
   -3.4570    6.7071    3.3650 H   0  0  0  0  0
   -1.7126    6.3990    3.2469 H   0  0  0  0  0
   -1.9504    2.5262   -3.8650 H   0  0  0  0  0
   -1.1821    2.0333   -5.3849 H   0  0  0  0  0
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    5.3743    0.7222   -4.8615 H   0  0  0  0  0
    7.1230    1.0537   -4.9204 H   0  0  0  0  0
  1  2  1  0  0  0
  1 40  1  0  0  0
  1 41  1  0  0  0
  1 42  1  0  0  0
  2  3  2  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  4  5  2  0  0  0
  4 39  1  0  0  0
  5  6  1  0  0  0
  5 10  1  0  0  0
  6  7  2  0  0  0
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 39 68  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL368657

>  <PubChem CID>
11800192

>  <Formula>
C30H29N5O4

>  <Molecular Weight>
523.593000

>  <IUPAC Name>
methyl 1-(dimethylcarbamoyl)-3-[4-[(2,4,6-trimethylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]indole-4-carboxylate

>  <XlogP>
4.3

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC1=NC(=C2C(=C1)N(C(=N2)C)CC3=CC=C(C=C3)C(=O)C4=CN(C5=CC=CC(=C54)C(=O)OC)C(=O)N(C)C)C

>  <Isomeric SMILES>
CC1=NC(=C2C(=C1)N(C(=N2)C)CC3=CC=C(C=C3)C(=O)C4=CN(C5=CC=CC(=C54)C(=O)OC)C(=O)N(C)C)C

>  <InChI Std. ID>
InChI=1S/C30H29N5O4/c1-17-14-25-27(18(2)31-17)32-19(3)34(25)15-20-10-12-21(13-11-20)28(36)23-16-35(30(38)33(4)5)24-9-7-8-22(26(23)24)29(37)39-6/h7-14,16H,15H2,1-6H3

>  <InChI Key>
FDUNDGKXMVEOSP-UHFFFAOYSA-N

