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| Ligand Name: N-(adamantan-1-yl)-2-(3-oxo-2,3-dihydro-1,2-benzothiazol-2-yl)acetamide |
| Ligand Type: non-polymer |
| Ligand ID: COVPDB163 |
PubChem:
4875293
|
Synonym(s):
- smr000154301
- mls000567780
- n-(1-adamantyl)-2-(3-oxo-1,2-benzothiazol-2-yl)acetamide
- chembl1471698
- schembl16735402
- bdbm34709
- cid_4875293
- hms2311f20
- zinc6053245
- akos033959977
- mcule-6065577821
- mls-0105641.0001
- z26274800
- n-(1-adamantyl)-2-(3-keto-1,2-benzothiazol-2-yl)acetamide
- n-(1-adamantyl)-2-(2,3-dihydro-3-oxo-1,2-benzoisothiazole-2-yl)acetamide
- n-(1-adamantyl)-2-(3-oxidanylidene-1,2-benzothiazol-2-yl)ethanamide
- 790717-09-8
show 16 synonym(s)
|
| DrugBank: - |
ChEMBL: CHEMBL1471698 |
| Canonical SMILES: c1cccc(c12)sn(c2=O)CC(=O)NC34C[C@@H]5C[C@H](C3)C[C@@H](C5)C4 |
| Standard InChI: InChI=1S/C19H22N2O2S/c22-17(11-21-18(23)15-3-1-2-4-16(15)24-21)20-19-8-12-5-13(9-19)7-14(6-12)10-19/h1-4,12-14H,5-11H2,(H,20,22)/t12-,13+,14-,19? |
| Molecular Formula: C19H22N2O2S |
Mol. Weight: 342.1402 |
logP: 3.148 |
| HBD: 1 | HBA: 4 |
| #Rotatable Bonds: 3 | TPSA: 51.1 |