N-(2-{[(5-chloro-1H-indol-2-yl)carbonyl]amino}phenyl)-5-methyl-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridine-2-carboxamide (Q27459120)

CHEMBL1761615 (English)

19 October 2016

chemical formula

C₂₃H₂₀ClN₅O₂S

1 reference

CHEMBL1761615 (English)

19 October 2016

canonical SMILES

CN1CCC2=C(C1)SC(=N2)C(=O)NC3=CC=CC=C3NC(=O)C4=CC5=C(N4)C=CC(=C5)Cl

1 reference

CHEMBL1761615 (English)

19 October 2016

isomeric SMILES

C[N@@]1CCc2c(sc(n2)C(=O)Nc3ccccc3NC(=O)c4cc5cc(ccc5[nH]4)Cl)C1

1 reference

stated in

RCSB protein data bank

PDB ligand ID

D90

InChI=1S/C23H20ClN5O2S/c1-29-9-8-18-20(12-29)32-23(28-18)22(31)27-17-5-3-2-4-16(17)26-21(30)19-11-13-10-14(24)6-7-15(13)25-19/h2-7,10-11,25H,8-9,12H2,1H3,(H,26,30)(H,27,31)

16 February 2021

Identifiers

InChI

1 reference

CHEMBL1761615 (English)

HLZHKMHNSZRIOD-UHFFFAOYSA-N

19 October 2016

InChIKey

1 reference

CAS (formerly Chemical Abstracts Service)

CHEMBL1761615 (English)

19 October 2016

1 reference

25 January 2022

1 reference

N-(2-{[(5-Chloro-1H-indol-2-yl)carbonyl]amino}phenyl)-5-methyl-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridine-2-carboxamide (English)

19 October 2016

1 reference

CHEMBL1761615 (English)

19 October 2016

1 reference

CHEMBL1761615 (English)

19 October 2016

1 reference

0 references

1 reference

3Q3K (English)