
 CHEMBL129866

 63 67  0  0  0  0  0  0  0  0999 V2000
    2.8807    0.8347    0.7715 C   0  0  0  0  0
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    3.9614    0.7343    0.6247 H   0  0  0  0  0
    2.5211   -0.0755    1.2647 H   0  0  0  0  0
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    2.4951   -1.6318   -0.3453 H   0  0  0  0  0
    3.1324   -0.0299   -4.9939 H   0  0  0  0  0
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    3.7620   -5.4822   -2.7360 H   0  0  0  0  0
    3.0900   -3.9018   -1.0313 H   0  0  0  0  0
    2.9993   -6.4755   -5.0053 H   0  0  0  0  0
    4.6745   -6.5410   -4.3525 H   0  0  0  0  0
    5.3129  -10.8560   -5.8809 H   0  0  0  0  0
    6.0157  -12.4021   -7.6798 H   0  0  0  0  0
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  1  2  1  0  0  0
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  2 25  1  0  0  0
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  3  8  1  0  0  0
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  5  6  2  0  0  0
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  7 43  1  0  0  0
  8 44  1  0  0  0
  9 10  2  0  0  0
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 37 63  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL129866

>  <PubChem CID>
44352450

>  <Formula>
C31H26N2O4

>  <Molecular Weight>
490.559000

>  <IUPAC Name>
2-[4-[2-[6-(quinolin-2-ylmethoxy)naphthalen-2-yl]propanoylamino]phenyl]acetic acid

>  <XlogP>
5.7

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC(C1=CC2=C(C=C1)C=C(C=C2)OCC3=NC4=CC=CC=C4C=C3)C(=O)NC5=CC=C(C=C5)CC(=O)O

>  <Isomeric SMILES>
CC(C1=CC2=C(C=C1)C=C(C=C2)OCC3=NC4=CC=CC=C4C=C3)C(=O)NC5=CC=C(C=C5)CC(=O)O

>  <InChI Std. ID>
InChI=1S/C31H26N2O4/c1-20(31(36)33-26-12-6-21(7-13-26)16-30(34)35)23-8-9-25-18-28(15-11-24(25)17-23)37-19-27-14-10-22-4-2-3-5-29(22)32-27/h2-15,17-18,20H,16,19H2,1H3,(H,33,36)(H,34,35)

>  <InChI Key>
ATPTYEVNGXTWTI-UHFFFAOYSA-N

