
 CHEMBL1813289

 59 63  0  0  0  0  0  0  0  0999 V2000
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    0.7742    1.0977    2.0002 C   0  0  0  0  0
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    2.6555   -2.0739   -1.2218 H   0  0  0  0  0
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    7.4470   -3.7452   -1.0043 H   0  0  0  0  0
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    0.2270    0.9854    2.9414 H   0  0  0  0  0
  1  2  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL1813289

>  <PubChem CID>
56681899

>  <Formula>
C28H24FNO5

>  <Molecular Weight>
473.500000

>  <IUPAC Name>
2-[1-[4-[[(3R)-2,3-dihydro-1-benzofuran-3-yl]methoxy]-2-methylbenzoyl]-5-fluoro-2-methylindol-3-yl]acetic acid

>  <XlogP>
5.3

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC1=C(C=CC(=C1)OCC2COC3=CC=CC=C23)C(=O)N4C(=C(C5=C4C=CC(=C5)F)CC(=O)O)C

>  <Isomeric SMILES>
CC1=C(C=CC(=C1)OC[C@@H]2COC3=CC=CC=C23)C(=O)N4C(=C(C5=C4C=CC(=C5)F)CC(=O)O)C

>  <InChI Std. ID>
InChI=1S/C28H24FNO5/c1-16-11-20(34-14-18-15-35-26-6-4-3-5-22(18)26)8-9-21(16)28(33)30-17(2)23(13-27(31)32)24-12-19(29)7-10-25(24)30/h3-12,18H,13-15H2,1-2H3,(H,31,32)/t18-/m1/s1

>  <InChI Key>
NVDILWSBQQABQM-GOSISDBHSA-N

