
 CHEMBL207203

 55 58  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL207203

>  <PubChem CID>
11294166

>  <Formula>
C23H24ClNO5S

>  <Molecular Weight>
461.957000

>  <IUPAC Name>
2-[(3R)-4-[(4-chlorophenyl)methyl]-5-(1-hydroxyethyl)-7-methylsulfonyl-2,3-dihydro-1H-cyclopenta[b]indol-3-yl]acetic acid

>  <XlogP>
3.0

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC(C1=C2C(=CC(=C1)S(=O)(=O)C)C3=C(N2CC4=CC=C(C=C4)Cl)C(CC3)CC(=O)O)O

>  <Isomeric SMILES>
CC(C1=C2C(=CC(=C1)S(=O)(=O)C)C3=C(N2CC4=CC=C(C=C4)Cl)[C@H](CC3)CC(=O)O)O

>  <InChI Std. ID>
InChI=1S/C23H24ClNO5S/c1-13(26)19-10-17(31(2,29)30)11-20-18-8-5-15(9-21(27)28)22(18)25(23(19)20)12-14-3-6-16(24)7-4-14/h3-4,6-7,10-11,13,15,26H,5,8-9,12H2,1-2H3,(H,27,28)/t13?,15-/m1/s1

>  <InChI Key>
ACIAOTYWHUSEBZ-AWKYBWMHSA-N

