
 CHEMBL585385

 65 68  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL585385

>  <PubChem CID>
45486038

>  <Formula>
C27H26Cl2N2O7S

>  <Molecular Weight>
593.472000

>  <IUPAC Name>
2-[4-[4-(cyclopentylcarbamoyl)-2-[(2,4-dichlorophenyl)sulfonylamino]phenoxy]-3-methoxyphenyl]acetic acid

>  <XlogP>
5.2

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
COC1=C(C=CC(=C1)CC(=O)O)OC2=C(C=C(C=C2)C(=O)NC3CCCC3)NS(=O)(=O)C4=C(C=C(C=C4)Cl)Cl

>  <Isomeric SMILES>
COC1=C(C=CC(=C1)CC(=O)O)OC2=C(C=C(C=C2)C(=O)NC3CCCC3)NS(=O)(=O)C4=C(C=C(C=C4)Cl)Cl

>  <InChI Std. ID>
InChI=1S/C27H26Cl2N2O7S/c1-37-24-12-16(13-26(32)33)6-9-23(24)38-22-10-7-17(27(34)30-19-4-2-3-5-19)14-21(22)31-39(35,36)25-11-8-18(28)15-20(25)29/h6-12,14-15,19,31H,2-5,13H2,1H3,(H,30,34)(H,32,33)

>  <InChI Key>
AFFFFAKSZDJOQN-UHFFFAOYSA-N

