
 CHEMBL2385476

 70 74  0  0  0  0  0  0  0  0999 V2000
    4.7304   -0.2036    2.6961 C   0  0  0  0  0
    3.3714    0.5098    2.5863 C   0  0  0  0  0
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    6.6825    3.0058    1.6992 C   0  0  0  0  0
    8.8651    3.0619    2.8299 O   0  0  0  0  0
    8.5658    4.3614    3.3292 C   0  0  0  0  0
    5.5932    0.6899   -0.8984 F   0  0  0  0  0
    3.2485    1.5667    3.6867 C   0  0  0  0  0
    4.9258   -0.8564    1.8377 H   0  0  0  0  0
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    1.3243   -0.0880    3.1036 H   0  0  0  0  0
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    0.9678   -1.3921    1.1933 H   0  0  0  0  0
    2.6638   -1.9333    1.0795 H   0  0  0  0  0
    1.9861    0.2334   -0.5157 H   0  0  0  0  0
    5.4918    4.7992   -0.2918 H   0  0  0  0  0
    3.4382    5.9910   -0.8281 H   0  0  0  0  0
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    0.9139    5.6355   -1.4731 H   0  0  0  0  0
    0.5229    7.2266    2.7531 H   0  0  0  0  0
    3.2027   11.3097    1.4995 H   0  0  0  0  0
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    1.9362   12.0670    3.4387 H   0  0  0  0  0
    0.4076   11.7391    2.6312 H   0  0  0  0  0
    0.4169    9.8122    3.9251 H   0  0  0  0  0
    3.5035    9.8110    3.6918 H   0  0  0  0  0
    2.6147    8.4392    4.3172 H   0  0  0  0  0
    1.8630    9.9763    7.2509 H   0  0  0  0  0
    2.0599    9.9328   -1.1439 H   0  0  0  0  0
    1.3112    7.6281   -1.4795 H   0  0  0  0  0
    7.9566   -0.0911   -0.2365 H   0  0  0  0  0
    9.4146    1.0066    1.4556 H   0  0  0  0  0
    6.3004    3.8681    2.2400 H   0  0  0  0  0
    9.4337    4.7112    3.8964 H   0  0  0  0  0
    7.7109    4.3306    4.0124 H   0  0  0  0  0
    8.3944    5.0736    2.5142 H   0  0  0  0  0
    2.2888    2.0929    3.6384 H   0  0  0  0  0
    4.0430    2.3169    3.6086 H   0  0  0  0  0
    3.3261    1.1062    4.6784 H   0  0  0  0  0
  1  2  1  0  0  0
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  2  3  1  0  0  0
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  3  4  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL2385476

>  <PubChem CID>
44223813

>  <Formula>
C32H33FO4

>  <Molecular Weight>
500.610000

>  <IUPAC Name>
2-[(1R)-6-[[3-(5,5-dimethylcyclopenten-1-yl)-4-(2-fluoro-5-methoxyphenyl)phenyl]methoxy]-2,3-dihydro-1H-inden-1-yl]acetic acid

>  <XlogP>
7.3

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1(CCC=C1C2=C(C=CC(=C2)COC3=CC4=C(CCC4CC(=O)O)C=C3)C5=C(C=CC(=C5)OC)F)C

>  <Isomeric SMILES>
CC1(CCC=C1C2=C(C=CC(=C2)COC3=CC4=C(CC[C@@H]4CC(=O)O)C=C3)C5=C(C=CC(=C5)OC)F)C

>  <InChI Std. ID>
InChI=1S/C32H33FO4/c1-32(2)14-4-5-29(32)27-15-20(6-12-25(27)28-17-23(36-3)11-13-30(28)33)19-37-24-10-9-21-7-8-22(16-31(34)35)26(21)18-24/h5-6,9-13,15,17-18,22H,4,7-8,14,16,19H2,1-3H3,(H,34,35)/t22-/m1/s1

>  <InChI Key>
BNEVNHKLOYIPRT-JOCHJYFZSA-N

