Common name
3-bromobenzamide
IUPAC name
3-bromobenzamide
SMILES
O=C(N)c1cc(ccc1)Br
Common name
3-bromobenzamide
IUPAC name
3-bromobenzamide
SMILES
O=C(N)c1cc(ccc1)Br
INCHI
InChI=1S/C7H6BrNO/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,(H2,9,10)
FORMULA
C7H6BrNO
Common name
3-bromobenzamide
IUPAC name
3-bromobenzamide
Molecular weight
200.033
clogP
1.656
clogS
-2.238
Frequency
0.0003
HBond Acceptor
1
HBond Donor
2
Total PolarSurface Area
43.09
Number of Rings
1
Rotatable Bond
1
| 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 |
|---|---|---|---|---|---|
| 4de3_ligand_1_0.mol2 | 4de3 | 1 | -6.38 | O=C(N)c1cccc(c1)Br | 10 |
| 2ze1_ligand_1_5.mol2 | 2ze1 | 1 | -6.34 | c1(cccc(c1)Br)C(=O)N | 10 |
| 4d2w_ligand_1_0.mol2 | 4d2w | 0.815789 | -7.13 | C(=O)(N)c1ccc(Br)cc1 | 10 |
| 4oc6_ligand_1_0.mol2 | 4oc6 | 0.815789 | -6.47 | C(=O)(N)c1ccccc1Br | 10 |
| 4ngr_ligand_1_9.mol2 | 4ngr | 0.815789 | -5.97 | c1cc(Br)ccc1C(=O)N | 10 |
| 3doz_ligand_2_0.mol2 | 3doz | 0.813953 | -6.86 | N(=N)C(=O)c1cc(Br)ccc1 | 11 |
| 3doz_ligand_1_0.mol2 | 3doz | 0.8 | -6.67 | c1c(Br)cccc1C=O | 9 |
| 1xq0_ligand_2_9.mol2 | 1xq0 | 0.771429 | -6.28 | c1ccc(cc1Br)C[NH3+] | 9 |
| 4ge5_ligand_1_0.mol2 | 4ge5 | 0.72093 | -5.69 | c1(cc(c(cc1)Br)C)C(=O)N | 11 |
402 ,
41
