compound 11nn [PMID: 1656041] (Q27076188)

CHEMBL101497 (English)

3 October 2016

chemical formula

C₂₄H₂₅FNO₅⁻

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CC(C)C1=C(C(=NC2=CC=CC=C21)C3=CC=C(C=C3)F)OCC(CC(CC(=O)[O-])O)O

1 reference

CHEMBL101497 (English)

3 October 2016

isomeric SMILES

CC(C)C1=C(C(=NC2=CC=CC=C21)C3=CC=C(C=C3)F)OCC(C[C@H](CC(=O)[O-])O)O

1 reference

CHEMBL101497 (English)

InChI=1S/C24H26FNO5/c1-14(2)22-19-5-3-4-6-20(19)26-23(15-7-9-16(25)10-8-15)24(22)31-13-18(28)11-17(27)12-21(29)30/h3-10,14,17-18,27-28H,11-13H2,1-2H3,(H,29,30)/p-1/t17-,18?/m1/s1

3 October 2016

Identifiers

InChI

1 reference

CHEMBL101497 (English)

WFJBUGLKYOMEIA-QNSVNVJESA-M

3 October 2016

InChIKey

1 reference

CHEMBL101497 (English)

3 October 2016

1 reference

(5xi)-2,4-Dideoxy-6-O-[2-(4-fluorophenyl)-4-isopropyl-3-quinolinyl]-D-glycero-hexonic acid (English)

3 October 2016

2 references

CHEMBL101497 (English)

matched by identifier from

3 October 2016

InChIKey

WFJBUGLKYOMEIA-QNSVNVJESA-M

ChEMBL ID

CHEMBL101497

1 reference

stated in

IUPHAR/BPS Guide to PHARMACOLOGY

8 February 2021

1 reference

Guide to Pharmacology Ligand ID

3014

1 reference

stated in

IUPHAR/BPS Guide to PHARMACOLOGY

Guide to Pharmacology Ligand ID

3014

compound 11nn [PMID: 1656041] (English)