
 CHEMBL3398236

 61 65  0  0  0  0  0  0  0  0999 V2000
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    0.0249    0.4400   -0.7792 H   0  0  0  0  0
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    5.4922   -1.6870   -0.2419 H   0  0  0  0  0
  1  6  1  0  0  0
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  7  8  1  0  0  0
  7 46  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>
CHEMBL3398236

>  <PubChem CID>
118727315

>  <Formula>
C29H23F3N2O4

>  <Molecular Weight>
520.508000

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

>  <XlogP>
5.2

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
8

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

>  <Isomeric SMILES>
C1CC2=C(C[C@@H]1CN3C(=O)C(=C(C=N3)C4=C(C(=CC=C4)F)F)C5=CC=C(C=C5)F)C=CC=C2OCC(=O)O

>  <InChI Std. ID>
InChI=1S/C29H23F3N2O4/c30-20-10-8-18(9-11-20)27-23(22-4-2-5-24(31)28(22)32)14-33-34(29(27)37)15-17-7-12-21-19(13-17)3-1-6-25(21)38-16-26(35)36/h1-6,8-11,14,17H,7,12-13,15-16H2,(H,35,36)/t17-/m1/s1

>  <InChI Key>
MWDJCTOIHXQKCS-QGZVFWFLSA-N

