4-[(6-chloro-1-benzothien-2-yl)sulfonyl]-1-{[1-(2-hydroxyethyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]methyl}piperazin-2-one (Q27465003)

CHEMBL157813 (English)

19 October 2016

chemical formula

C₂₂H₂₁ClN₄O₄S₂

1 reference

CHEMBL157813 (English)

19 October 2016

canonical SMILES

C1CN(C(=O)CN1S(=O)(=O)C2=CC3=C(S2)C=C(C=C3)Cl)CC4=CC5=C(N4CCO)C=CN=C5

1 reference

CHEMBL157813 (English)

19 October 2016

isomeric SMILES

c1cc(cc2c1cc(s2)S(=O)(=O)[N@]3CCN(C(=O)C3)Cc4cc5cnccc5n4CCO)Cl

1 reference

stated in

RCSB protein data bank

PDB ligand ID

RDR

InChI=1S/C22H21ClN4O4S2/c23-17-2-1-15-10-22(32-20(15)11-17)33(30,31)26-6-5-25(21(29)14-26)13-18-9-16-12-24-4-3-19(16)27(18)7-8-28/h1-4,9-12,28H,5-8,13-14H2

16 February 2021

Identifiers

InChI

1 reference

CHEMBL157813 (English)

NZNFLUOJACWZKX-UHFFFAOYSA-N

19 October 2016

InChIKey

1 reference

CHEMBL157813 (English)

19 October 2016

1 reference

4-[(6-CHLORO-1-BENZOTHIEN-2-YL)SULFONYL]-1-{[1-(2-HYDROXYETHYL)-1H-PYRROLO[3,2-C]PYRIDIN-2-YL]METHYL}PIPERAZIN-2-ONE (English)

19 October 2016

1 reference

CHEMBL157813 (English)

19 October 2016

1 reference

CHEMBL157813 (English)

19 October 2016

1 reference

0 references

0 references

1 reference

1NFX (English)