 |
| Ligand Name: PBTZ169 |
| Ligand Type: non-polymer |
| Ligand ID: COVPDB119 |
PubChem:
57331386
|
Synonym(s):
- macozinone
- 1377239-83-2
- pbtz-169
- 2-(4-(cyclohexylmethyl)piperazin-1-yl)-8-nitro-6-(trifluoromethyl)-4h-benzo[e][1,3]thiazin-4-one
- unii-a3m1353l40
- a3m1353l40
- 2-[4-(cyclohexylmethyl)piperazin-1-yl]-8-nitro-6-(trifluoromethyl)-1,3-benzothiazin-4-one
- 4h-1,3-benzothiazin-4-one, 2-(4-(cyclohexylmethyl)-1-piperazinyl)-8-nitro-6-(trifluoromethyl)-
- 4h-1,3-benzothiazin-4-one, 2-[4-(cyclohexylmethyl)-1-piperazinyl]-8-nitro-6-(trifluoromethyl)-
- macozinone [inn]
- schembl6128230
- chembl3330226
- btz-169
- pbtz 169;pbtz-169
- bcp18094
- ex-a1013
- pbtz-169;pbtz 169;macozinone
- bdbm50515570
- mfcd28902203
- s6549
- akos030526001
- zinc141433347
- cs-5777
- db14821
- sb19755
- yh65042
- bs-15317
- hy-12903
- ds-015880
- 2-(4-(cyclohexylmethyl)piperazin-1-yl)-8-nitro-6-trifluoromethyl-4h-1,3-benzothiazin-4-one
show 29 synonym(s)
|
| DrugBank: DB14821 |
ChEMBL: CHEMBL3330226 |
| Canonical SMILES: [O-][N+](=O)c1cc(cc2c1sc(nc2=O)N1CCN(CC2CCCCC2)CC1)C(F)(F)F |
| Standard InChI: InChI=1S/C20H23F3N4O3S/c21-20(22,23)14-10-15-17(16(11-14)27(29)30)31-19(24-18(15)28)26-8-6-25(7-9-26)12-13-4-2-1-3-5-13/h10-11,13H,1-9,12H2 |
| Molecular Formula: C20H23F3N4O3S |
Mol. Weight: 456.1443 |
logP: 4.2858 |
| HBD: 0 | HBA: 7 |
| #Rotatable Bonds: 4 | TPSA: 79.58 |