(Q27076512)

CHEMBL161829 (English)

3 October 2016

chemical formula

C₂₅H₂₇FNO₄⁻

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CC1=C(C(=C(N1C2=CC=CC=C2)C)C3=CC=C(C=C3)F)CCC(CC(CC(=O)[O-])O)O

1 reference

CHEMBL161829 (English)

3 October 2016

isomeric SMILES

CC1=C(C(=C(N1C2=CC=CC=C2)C)C3=CC=C(C=C3)F)CC[C@H](C[C@H](CC(=O)[O-])O)O

1 reference

CHEMBL161829 (English)

InChI=1S/C25H28FNO4/c1-16-23(13-12-21(28)14-22(29)15-24(30)31)25(18-8-10-19(26)11-9-18)17(2)27(16)20-6-4-3-5-7-20/h3-11,21-22,28-29H,12-15H2,1-2H3,(H,30,31)/p-1/t21-,22-/m1/s1

3 October 2016

Identifiers

InChI

1 reference

CHEMBL161829 (English)

QKLXBIHSGMPUQS-FGZHOGPDSA-M

3 October 2016

InChIKey

1 reference

CHEMBL161829 (English)

3 October 2016

1 reference

(3R,5R)-7-[4-(4-Fluorophenyl)-2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl]-3,5-dihydroxyheptanoic acid (English)

3 October 2016

1 reference

IUPHAR/BPS Guide to PHARMACOLOGY

CHEMBL161829 (English)

3 October 2016

1 reference

8 February 2021

1 reference

Guide to Pharmacology Ligand ID

3004

1 reference

stated in

IUPHAR/BPS Guide to PHARMACOLOGY

Guide to Pharmacology Ligand ID

3004

compound 2c [PMID: 2153213] (English)