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| Ligand Name: 2,5-dibromo-N-[(3R,5S)-1-cyano-5-methylpyrrolidin-3-yl]benzene-1-sulfonamide |
| Ligand Type: non-polymer |
| Ligand ID: COVPDB1080 |
PubChem:
25174148
|
Synonym(s):
- chembl1672434
- benzenesulfonamide,2,5-dibromo-n-[(3r,5s)-1-cyano-5-methyl-3-pyrrolidinyl]-
- 1123307-53-8
- schembl3946557
- bdbm50417996
- zinc43202870
- 2,5-dibromo-n-[(3r,5s)-1-cyano-5-methyl-3-pyrrolidinyl]benzenesulfonamide
- 2,5-dibromo-n-[(3r,5s)-1-cyano-5-methylpyrrolidin-3-yl]benzenesulfonamide
show 7 synonym(s)
|
| DrugBank: - |
ChEMBL: CHEMBL1672434 |
| Canonical SMILES: N#CN1C[C@@H](C[C@@H]1C)NS(=O)(=O)c2cc(Br)ccc2Br |
| Standard InChI: InChI=1S/C12H13Br2N3O2S/c1-8-4-10(6-17(8)7-15)16-20(18,19)12-5-9(13)2-3-11(12)14/h2-3,5,8,10,16H,4,6H2,1H3/t8-,10+/m0/s1 |
| Molecular Formula: C12H13Br2N3O2S |
Mol. Weight: 420.90952 |
logP: 2.43378 |
| HBD: 1 | HBA: 4 |
| #Rotatable Bonds: 3 | TPSA: 73.2 |