Common name
5-bromo-2-methoxy-benzamide
IUPAC name
5-bromo-2-methoxy-benzamide
SMILES
O=C(N)c1cc(ccc1OC)Br
Common name
5-bromo-2-methoxy-benzamide
IUPAC name
5-bromo-2-methoxy-benzamide
SMILES
O=C(N)c1cc(ccc1OC)Br
INCHI
InChI=1S/C8H8BrNO2/c1-12-7-3-2-5(9)4-6(7)8(10)11/h2-4H,1H3,(H2,10,11)
FORMULA
C8H8BrNO2
Common name
5-bromo-2-methoxy-benzamide
IUPAC name
5-bromo-2-methoxy-benzamide
Molecular weight
230.059
clogP
1.653
clogS
-2.520
Frequency
0.0003
HBond Acceptor
2
HBond Donor
2
Total PolarSurface Area
52.32
Number of Rings
1
Rotatable Bond
2
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00288 | Remoxipride |
|
Antipsychotic Agents; Dopamine Antagonists; Nervous System; Psycholeptics; Benzamides; CYP2D6 Inducers; CYP2D6 Inducers (strong); | Remoxipride is an atypical antipsychotic once used for the treatment of schizophrenia. |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4ngr_ligand_3_329.mol2 | 4ngr | 0.813559 | -5.92 | c1(cc(Br)ccc1C(=O)N)OC | 12 |
| 4z7h_ligand_2_6.mol2 | 4z7h | 0.777778 | -6.81 | C(=O)(N)c1c(cccc1)OC | 11 |
| 4umq_ligand_3_68.mol2 | 4umq | 0.777778 | -6.71 | COc1c(C(=O)N)cccc1 | 11 |
| 4d2t_ligand_3_26.mol2 | 4d2t | 0.777778 | -6.60 | c1(ccccc1C(=O)N)OC | 11 |
| 4d2v_ligand_2_1.mol2 | 4d2v | 0.777778 | -6.60 | COc1ccccc1C(=O)N | 11 |
| 2v13_ligand_3_316.mol2 | 2v13 | 0.777778 | -6.52 | COc1ccccc1C(=O)N | 11 |
| 2v12_ligand_3_361.mol2 | 2v12 | 0.777778 | -6.47 | COc1ccccc1C(=O)N | 11 |
| 4ngp_ligand_3_409.mol2 | 4ngp | 0.777778 | -6.09 | C(=O)(N)c1c(cccc1)OC | 11 |
116 ,
12
