
 CHEMBL3398227

 61 65  0  0  0  0  0  0  0  0999 V2000
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    2.4849    0.9414    0.4023 O   0  0  0  0  0
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    4.6082    1.4296   -0.6451 C   0  0  0  0  0
    4.2346    1.1911   -1.7805 O   0  0  0  0  0
    5.9097    1.7184   -0.4130 O   0  0  0  0  0
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   -7.0897   -0.7413    3.2009 H   0  0  0  0  0
   -7.3410    2.5592    4.0588 H   0  0  0  0  0
   -9.4262    3.3856    5.0970 H   0  0  0  0  0
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    4.3050    0.8685    1.3795 H   0  0  0  0  0
    3.7174    2.5234    0.9312 H   0  0  0  0  0
    6.3200    1.6495   -1.3014 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 37  1  0  0  0
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  6  7  1  0  0  0
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  7  8  1  0  0  0
  7 44  1  0  0  0
  7 45  1  0  0  0
  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>
CHEMBL3398227

>  <PubChem CID>
118727306

>  <Formula>
C29H25FN2O4

>  <Molecular Weight>
484.527000

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

>  <XlogP>
5.0

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
C1CC2=C(CC1CN3C(=O)C(=C(C=N3)C4=CC=CC=C4F)C5=CC=CC=C5)C=CC=C2OCC(=O)O

>  <Isomeric SMILES>
C1CC2=C(CC1CN3C(=O)C(=C(C=N3)C4=CC=CC=C4F)C5=CC=CC=C5)C=CC=C2OCC(=O)O

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

>  <InChI Key>
INNXTRNVCBZPHW-UHFFFAOYSA-N

