
 CHEMBL134697

 54 56  0  0  0  0  0  0  0  0999 V2000
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    0.4017    1.0842   -2.6330 H   0  0  0  0  0
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    0.6086    1.0316   -4.3891 H   0  0  0  0  0
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    0.2607   -1.1917   -5.6709 H   0  0  0  0  0
    1.8796   -0.9508   -2.2714 H   0  0  0  0  0
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  1  2  1  0  0  0
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  1 30  1  0  0  0
  1 31  1  0  0  0
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  2  4  1  0  0  0
  2  3  1  0  0  0
  3 32  1  0  0  0
  3 33  1  0  0  0
  3 34  1  0  0  0
  4  5  1  0  0  0
  4 35  1  0  0  0
  4 36  1  0  0  0
  5  6  1  0  0  0
  5 37  1  0  0  0
  5 38  1  0  0  0
  6  7  1  0  0  0
  6 39  1  0  0  0
  6 40  1  0  0  0
  7  8  1  0  0  0
  7 41  1  0  0  0
  7 42  1  0  0  0
  8  9  1  0  0  0
  9 18  1  0  0  0
  9 10  2  0  0  0
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M  END

>  <Chemical Name>
CHEMBL134697

>  <PubChem CID>
9999718

>  <Formula>
C23H26N2O3

>  <Molecular Weight>
378.472000

>  <IUPAC Name>
6-[4-(4-aminophenyl)quinolin-2-yl]oxy-2,2-dimethylhexanoic acid

>  <XlogP>
4.9

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC(C)(CCCCOC1=NC2=CC=CC=C2C(=C1)C3=CC=C(C=C3)N)C(=O)O

>  <Isomeric SMILES>
CC(C)(CCCCOC1=NC2=CC=CC=C2C(=C1)C3=CC=C(C=C3)N)C(=O)O

>  <InChI Std. ID>
InChI=1S/C23H26N2O3/c1-23(2,22(26)27)13-5-6-14-28-21-15-19(16-9-11-17(24)12-10-16)18-7-3-4-8-20(18)25-21/h3-4,7-12,15H,5-6,13-14,24H2,1-2H3,(H,26,27)

>  <InChI Key>
CCAHDZNXPZTVOL-UHFFFAOYSA-N

