(Q27076586)

CHEMBL3086040 (English)

3 October 2016

chemical formula

C₂₉H₃₀BrClFN₃O₂

1 reference

CHEMBL3086040 (English)

3 October 2016

canonical SMILES

C1CC(C(CC1N2CCOCC2)C3=CC=C(C=C3)Br)C(=O)NC(C4=CC=C(C=C4)Cl)C5=CC(=NC=C5)F

1 reference

CHEMBL3086040 (English)

3 October 2016

isomeric SMILES

C1C[C@H]([C@@H](C[C@@H]1N2CCOCC2)C3=CC=C(C=C3)Br)C(=O)NC(C4=CC=C(C=C4)Cl)C5=CC(=NC=C5)F

1 reference

CHEMBL3086040 (English)

InChI=1S/C29H30BrClFN3O2/c30-22-5-1-19(2-6-22)26-18-24(35-13-15-37-16-14-35)9-10-25(26)29(36)34-28(20-3-7-23(31)8-4-20)21-11-12-33-27(32)17-21/h1-8,11-12,17,24-26,28H,9-10,13-16,18H2,(H,34,36)/t24-,25-,26+,28?/m1/s1

3 October 2016

Identifiers

InChI

1 reference

CHEMBL3086040 (English)

ABJSOROVZZKJGI-OCYUSGCXSA-N

3 October 2016

InChIKey

1 reference

CHEMBL3086040 (English)

3 October 2016

1 reference

(1R,2R,4R)-2-(4-Bromophenyl)-N-[(4-chlorophenyl)(2-fluoro-4-pyridinyl)methyl]-4-(4-morpholinyl)cyclohexanecarboxamide (English)

3 October 2016

1 reference

CHEMBL3086040 (English)

3 October 2016

1 reference

Guide to Pharmacology Ligand ID

CHEMBL3086040 (English)

3 October 2016

1 reference

8554

1 reference

stated in

IUPHAR/BPS Guide to PHARMACOLOGY

Guide to Pharmacology Ligand ID

8554

compound 35 [PMID: 24157366] (English)