| PDB CCD ID: | RDR |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C22 H21 Cl N4 O4 S2 |
| InChI: | 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 |
| InChIKey: | NZNFLUOJACWZKX-UHFFFAOYSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.341 | OCCn1c(CN2CCN(CC2=O)[S](=O)(=O)c3sc4cc(Cl)ccc4c3)cc5cnccc15 | | OpenEye OEToolkits 1.5.0 | c1cc(cc2c1cc(s2)S(=O)(=O)[N@]3CCN(C(=O)C3)Cc4cc5cnccc5n4CCO)Cl | | ACDLabs 10.04 | O=C3N(Cc2cc1cnccc1n2CCO)CCN(C3)S(=O)(=O)c5sc4cc(Cl)ccc4c5 | | OpenEye OEToolkits 1.5.0 | c1cc(cc2c1cc(s2)S(=O)(=O)N3CCN(C(=O)C3)Cc4cc5cnccc5n4CCO)Cl |
|
| Name: | 4-[(6-CHLORO-1-BENZOTHIEN-2-YL)SULFONYL]-1-{[1-(2-HYDROXYETHYL)-1H-PYRROLO[3,2-C]PYRIDIN-2-YL]METHYL}PIPERAZIN-2-ONE |
| ChEMBL: | CHEMBL157813 |
| ZINC: | ZINC000002047638 |
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