
 CHEMBL3330550

 70 74  0  0  0  0  0  0  0  0999 V2000
    0.6077    0.8853    1.1847 C   0  0  0  0  0
    1.8174    0.4431    0.3585 C   0  0  0  0  0
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    7.6141   -1.2437   10.9907 F   0  0  0  0  0
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    1.6369    0.5848   -0.7097 H   0  0  0  0  0
    1.3404   -1.5700    1.0341 H   0  0  0  0  0
    5.5721    2.1250    0.7961 H   0  0  0  0  0
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    4.7536    5.7631   -1.3366 H   0  0  0  0  0
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    2.0006   -3.1409    2.3735 H   0  0  0  0  0
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    6.6802   -3.2266   10.1677 H   0  0  0  0  0
    6.1066   -4.3257    8.0821 H   0  0  0  0  0
    7.9753   -0.0026   13.1937 H   0  0  0  0  0
    6.1845    0.7049   14.7678 H   0  0  0  0  0
    3.2521   -1.1229   12.2149 H   0  0  0  0  0
    1.7491    0.6751   14.9843 H   0  0  0  0  0
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    3.8060   -1.1204   -0.7795 H   0  0  0  0  0
    1.9828   -3.1111   -3.0705 H   0  0  0  0  0
  1  2  1  0  0  0
  1 40  1  0  0  0
  1 41  1  0  0  0
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  2 43  1  0  0  0
  3  4  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3330550

>  <PubChem CID>
73891117

>  <Formula>
C33H31FN2O3

>  <Molecular Weight>
522.620000

>  <IUPAC Name>
2-[2-[4-[[4-(2-fluoro-5-methoxyphenyl)-2-methylphenyl]methyl]phenyl]-4-methyl-5-phenyl-3,4-dihydropyrazol-3-yl]acetic acid

>  <XlogP>
7.6

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC1C(N(N=C1C2=CC=CC=C2)C3=CC=C(C=C3)CC4=C(C=C(C=C4)C5=C(C=CC(=C5)OC)F)C)CC(=O)O

>  <Isomeric SMILES>
CC1C(N(N=C1C2=CC=CC=C2)C3=CC=C(C=C3)CC4=C(C=C(C=C4)C5=C(C=CC(=C5)OC)F)C)CC(=O)O

>  <InChI Std. ID>
InChI=1S/C33H31FN2O3/c1-21-17-26(29-19-28(39-3)15-16-30(29)34)12-11-25(21)18-23-9-13-27(14-10-23)36-31(20-32(37)38)22(2)33(35-36)24-7-5-4-6-8-24/h4-17,19,22,31H,18,20H2,1-3H3,(H,37,38)

>  <InChI Key>
BICVZUYPVRKWQB-UHFFFAOYSA-N

