
 CHEMBL3398225

 61 65  0  0  0  0  0  0  0  0999 V2000
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   -6.1826    2.6404    0.2985 H   0  0  0  0  0
   -9.3713    1.7067    1.2836 H   0  0  0  0  0
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    6.2314   -1.1426   -0.2290 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
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  1 38  1  0  0  0
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  6  7  1  0  0  0
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  7  8  1  0  0  0
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  8 14  1  0  0  0
  8  9  1  0  0  0
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  9 10  2  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3398225

>  <PubChem CID>
118727304

>  <Formula>
C29H25ClN2O4

>  <Molecular Weight>
500.979000

>  <IUPAC Name>
2-[[6-[[4-(3-chlorophenyl)-6-oxo-5-phenylpyridazin-1-yl]methyl]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid

>  <XlogP>
5.5

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1CC2=C(CC1CN3C(=O)C(=C(C=N3)C4=CC(=CC=C4)Cl)C5=CC=CC=C5)C=CC=C2OCC(=O)O

>  <Isomeric SMILES>
C1CC2=C(CC1CN3C(=O)C(=C(C=N3)C4=CC(=CC=C4)Cl)C5=CC=CC=C5)C=CC=C2OCC(=O)O

>  <InChI Std. ID>
InChI=1S/C29H25ClN2O4/c30-23-10-4-8-22(15-23)25-16-31-32(29(35)28(25)20-6-2-1-3-7-20)17-19-12-13-24-21(14-19)9-5-11-26(24)36-18-27(33)34/h1-11,15-16,19H,12-14,17-18H2,(H,33,34)

>  <InChI Key>
XDUIIFURCXXYGG-UHFFFAOYSA-N

