
 CHEMBL3966386

 56 59  0  0  0  0  0  0  0  0999 V2000
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   -6.5681    2.5612    5.1221 O   0  0  0  0  0
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  1 34  1  0  0  0
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  2  7  1  0  0  0
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  3  9  1  0  0  0
  4  5  2  0  0  0
  4  8  1  0  0  0
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  9 10  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3966386

>  <PubChem CID>
117903316

>  <Formula>
C26H24FNO4

>  <Molecular Weight>
433.479000

>  <IUPAC Name>
4-[[cyclopropylmethyl-[4-(2-fluoro-6-methylphenoxy)benzoyl]amino]methyl]benzoic acid

>  <XlogP>
5.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1=C(C(=CC=C1)F)OC2=CC=C(C=C2)C(=O)N(CC3CC3)CC4=CC=C(C=C4)C(=O)O

>  <Isomeric SMILES>
CC1=C(C(=CC=C1)F)OC2=CC=C(C=C2)C(=O)N(CC3CC3)CC4=CC=C(C=C4)C(=O)O

>  <InChI Std. ID>
InChI=1S/C26H24FNO4/c1-17-3-2-4-23(27)24(17)32-22-13-11-20(12-14-22)25(29)28(15-18-5-6-18)16-19-7-9-21(10-8-19)26(30)31/h2-4,7-14,18H,5-6,15-16H2,1H3,(H,30,31)

>  <InChI Key>
ONHLWLKFAFELOK-UHFFFAOYSA-N

