
 CHEMBL3758803

 79 83  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL3758803

>  <PubChem CID>
90309435

>  <Formula>
C33H37FN2O6

>  <Molecular Weight>
576.665000

>  <IUPAC Name>
2-[4-[3-[(3-cyclohexyl-3-hydroxypyrrolidine-1-carbonyl)amino]-5-(4-fluorophenoxy)phenoxy]phenyl]-2-methylpropanoic acid

>  <XlogP>
6.4

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CC(C)(C1=CC=C(C=C1)OC2=CC(=CC(=C2)NC(=O)N3CCC(C3)(C4CCCCC4)O)OC5=CC=C(C=C5)F)C(=O)O

>  <Isomeric SMILES>
CC(C)(C1=CC=C(C=C1)OC2=CC(=CC(=C2)NC(=O)N3CCC(C3)(C4CCCCC4)O)OC5=CC=C(C=C5)F)C(=O)O

>  <InChI Std. ID>
InChI=1S/C33H37FN2O6/c1-32(2,30(37)38)22-8-12-26(13-9-22)41-28-18-25(19-29(20-28)42-27-14-10-24(34)11-15-27)35-31(39)36-17-16-33(40,21-36)23-6-4-3-5-7-23/h8-15,18-20,23,40H,3-7,16-17,21H2,1-2H3,(H,35,39)(H,37,38)

>  <InChI Key>
DBQXXSHEVMMOHU-UHFFFAOYSA-N

