
 CHEMBL367425

 67 70  0  0  0  0  0  0  0  0999 V2000
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    4.8300    2.6146    0.2637 H   0  0  0  0  0
  1  2  1  0  0  0
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  2  6  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL367425

>  <PubChem CID>
10505183

>  <Formula>
C27H31N5O4

>  <Molecular Weight>
489.576000

>  <IUPAC Name>
methyl 1-(dimethylcarbamoyl)-3-[7-(2-methylimidazo[4,5-c]pyridin-1-yl)heptanoyl]indole-4-carboxylate

>  <XlogP>
3.5

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC1=NC2=C(N1CCCCCCC(=O)C3=CN(C4=CC=CC(=C43)C(=O)OC)C(=O)N(C)C)C=CN=C2

>  <Isomeric SMILES>
CC1=NC2=C(N1CCCCCCC(=O)C3=CN(C4=CC=CC(=C43)C(=O)OC)C(=O)N(C)C)C=CN=C2

>  <InChI Std. ID>
InChI=1S/C27H31N5O4/c1-18-29-21-16-28-14-13-22(21)31(18)15-8-6-5-7-12-24(33)20-17-32(27(35)30(2)3)23-11-9-10-19(25(20)23)26(34)36-4/h9-11,13-14,16-17H,5-8,12,15H2,1-4H3

>  <InChI Key>
GWSHLSXPHSDTOP-UHFFFAOYSA-N

