
 CHEMBL134567

 61 65  0  0  0  0  0  0  0  0999 V2000
    3.4774    2.1868    4.9369 C   0  0  0  0  0
    2.6649    1.7980    3.7105 C   0  0  0  0  0
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   -5.8482   -1.0486   -3.3402 Cl  0  0  0  0  0
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    0.0186    4.7468    0.7890 N   0  0  0  0  0
   -0.7585    5.8201    1.0767 C   0  0  0  0  0
   -0.9311    6.3498    2.3611 C   0  0  0  0  0
   -0.2950    5.7619    3.4693 C   0  0  0  0  0
   -0.4770    6.3325    4.8410 C   0  0  0  0  0
   -1.4420    6.4645   -0.0958 C   0  0  0  0  0
    4.1438    1.3678    5.2253 H   0  0  0  0  0
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    4.0910    3.0724    4.7389 H   0  0  0  0  0
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    3.0579    2.4007    0.8582 H   0  0  0  0  0
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    3.2530    0.0128    0.6163 H   0  0  0  0  0
   -1.6730   -0.3587   -0.0322 H   0  0  0  0  0
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    0.8833   -3.8625    1.2941 H   0  0  0  0  0
    1.1331   -4.4438   -0.3613 H   0  0  0  0  0
    2.9669   -2.8256    0.9237 H   0  0  0  0  0
    2.7069   -2.7089   -0.8482 H   0  0  0  0  0
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   -0.6949    6.9077   -0.7613 H   0  0  0  0  0
  1  2  1  0  0  0
  1 36  1  0  0  0
  1 37  1  0  0  0
  1 38  1  0  0  0
  2  3  1  0  0  0
  2 39  1  0  0  0
  2 40  1  0  0  0
  3  4  2  0  0  0
  3  7  1  0  0  0
  4  5  1  0  0  0
  5 33  1  0  0  0
  5  6  2  0  0  0
  6  7  1  0  0  0
  6 30  1  0  0  0
  7  8  1  0  0  0
  8  9  1  0  0  0
  8 41  1  0  0  0
  8 42  1  0  0  0
  9 14  1  0  0  0
  9 10  2  0  0  0
 10 11  1  0  0  0
 10 43  1  0  0  0
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 33 34  1  0  0  0
 34 56  1  0  0  0
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 35 59  1  0  0  0
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 35 61  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL134567

>  <PubChem CID>
44355628

>  <Formula>
C27H26Cl2N4O2

>  <Molecular Weight>
509.431000

>  <IUPAC Name>
4,5-dichloro-2-[[5-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2,3-dihydroindol-1-yl]methyl]benzoic acid

>  <XlogP>
6.3

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CCC1=NC2=C(N1CC3=CC4=C(C=C3)N(CC4)CC5=CC(=C(C=C5C(=O)O)Cl)Cl)N=C(C=C2C)C

>  <Isomeric SMILES>
CCC1=NC2=C(N1CC3=CC4=C(C=C3)N(CC4)CC5=CC(=C(C=C5C(=O)O)Cl)Cl)N=C(C=C2C)C

>  <InChI Std. ID>
InChI=1S/C27H26Cl2N4O2/c1-4-24-31-25-15(2)9-16(3)30-26(25)33(24)13-17-5-6-23-18(10-17)7-8-32(23)14-19-11-21(28)22(29)12-20(19)27(34)35/h5-6,9-12H,4,7-8,13-14H2,1-3H3,(H,34,35)

>  <InChI Key>
ARXVLQLBRUNRKP-UHFFFAOYSA-N

