3-(4'-hydroxybiphenyl-4-yl)-N-(4-hydroxycyclohexyl)-1,4-dihydroindeno[1,2-c]pyrazole-6-carboxamide (Q27456666)

CHEMBL438485 (English)

19 October 2016

chemical formula

C₂₉H₂₇N₃O₃

1 reference

stated in

RCSB protein data bank

PDB ligand ID

76A

16 February 2021

canonical SMILES

OC1CCC(CC1)NC(=O)C2=CC=C3C(CC=4C(=NNC34)C5=CC=C(C=C5)C6=CC=C(O)C=C6)=C2

1 reference

CHEMBL438485 (English)

19 October 2016

isomeric SMILES

O[C@@H]1CC[C@H](CC1)NC(=O)C2=CC=C3C(CC=4C(=NNC34)C5=CC=C(C=C5)C6=CC=C(O)C=C6)=C2

1 reference

CHEMBL438485 (English)

InChI=1S/C29H27N3O3/c33-23-10-5-18(6-11-23)17-1-3-19(4-2-17)27-26-16-21-15-20(7-14-25(21)28(26)32-31-27)29(35)30-22-8-12-24(34)13-9-22/h1-7,10-11,14-15,22,24,33-34H,8-9,12-13,16H2,(H,30,35)(H,31,32)/t22-,24-

19 October 2016

Identifiers

InChI

1 reference

CHEMBL438485 (English)

VKPCXCHYSBVEMW-HCGLCNNCSA-N

19 October 2016

InChIKey

1 reference

CHEMBL438485 (English)

19 October 2016

1 reference

3-(4'-Hydroxy-4-biphenylyl)-N-(trans-4-hydroxycyclohexyl)-1,4-dihydroindeno[1,2-c]pyrazole-6-carboxamide (English)

19 October 2016

1 reference

CHEMBL438485 (English)

19 October 2016

0 references

0 references

1 reference

2E9N (English)