
 CHEMBL3398214

 61 65  0  0  0  0  0  0  0  0999 V2000
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    2.4729    0.9107    0.2166 O   0  0  0  0  0
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   -6.8138    0.1048    3.6049 H   0  0  0  0  0
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    4.5055   -2.4112   -0.0265 H   0  0  0  0  0
  1  6  1  0  0  0
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  7  8  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3398214

>  <PubChem CID>
118727293

>  <Formula>
C29H25FN2O4

>  <Molecular Weight>
484.527000

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

>  <XlogP>
5.3

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

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

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

>  <InChI Std. ID>
InChI=1S/C29H25FN2O4/c30-23-10-4-9-22(15-23)29-25(20-6-2-1-3-7-20)16-27(33)32(31-29)17-19-12-13-24-21(14-19)8-5-11-26(24)36-18-28(34)35/h1-11,15-16,19H,12-14,17-18H2,(H,34,35)

>  <InChI Key>
BEAZLKYMDUROHO-UHFFFAOYSA-N

