Common name
5-chloro-N-methyl-thiophene-2-carboxamide
IUPAC name
5-chloro-N-methyl-thiophene-2-carboxamide
SMILES
CNC(=O)c1sc(cc1)Cl
Common name
5-chloro-N-methyl-thiophene-2-carboxamide
IUPAC name
5-chloro-N-methyl-thiophene-2-carboxamide
SMILES
CNC(=O)c1sc(cc1)Cl
INCHI
InChI=1S/C6H6ClNOS/c1-8-6(9)4-2-3-5(7)10-4/h2-3H,1H3,(H,8,9)
FORMULA
C6H6ClNOS
Common name
5-chloro-N-methyl-thiophene-2-carboxamide
IUPAC name
5-chloro-N-methyl-thiophene-2-carboxamide
Molecular weight
175.636
clogP
2.688
clogS
-2.364
Frequency
0.0003
HBond Acceptor
2
HBond Donor
1
Total PolarSurface Area
57.34
Number of Rings
1
Rotatable Bond
1
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD01394 | Rivaroxaban |
|
Antithrombotic Agents; Blood and Blood Forming Organs; Direct Factor Xa Inhibitors; Factor Xa Inhibitors; CYP3A4 Inhibitors; | Rivaroxaban is indicated for the prevention of venous thromboembolic events (VTE) in patients who have undergone total hips replacements and total knee replacement surgery; prevention of stroke and systemic embolism in patients with nonvalvular atrial fibrillation; treatment of deep vein thrombosis (DVT) and pulmonary embolism (PE); to reduce risk of recurrent DVT and/or PE. Due to a lack of safety studies, it is not recommended for use in those under 18 years old. Its use is also not recommended in those with severe renal impairment (. |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4bti_ligand_1_0.mol2 | 4bti | 1 | -6.92 | CNC(=O)c1ccc(Cl)s1 | 10 |
| 4lxb_ligand_1_0.mol2 | 4lxb | 1 | -6.88 | c1cc(Cl)sc1C(=O)NC | 10 |
| 4btu_ligand_1_0.mol2 | 4btu | 1 | -6.87 | CNC(=O)c1ccc(Cl)s1 | 10 |
| 2w26_ligand_1_3.mol2 | 2w26 | 1 | -6.86 | N(C(=O)c1sc(cc1)Cl)C | 10 |
| 4loy_ligand_1_0.mol2 | 4loy | 1 | -6.83 | c1cc(Cl)sc1C(=O)NC | 10 |
| 2p93_ligand_1_1.mol2 | 2p93 | 1 | -6.81 | c1(ccc(s1)C(=O)NC)Cl | 10 |
| 3dxk_ligand_1_2.mol2 | 3dxk | 0.75 | -6.35 | CNC(=O)c1cccs1 | 9 |
| 1utz_ligand_1_2.mol2 | 1utz | 0.75 | -6.23 | s1c(ccc1)C(=O)NC | 9 |
| 4ijp_ligand_1_1.mol2 | 4ijp | 0.75 | -6.09 | N(C(=O)c1sccc1)C | 9 |
100 ,
11
