Common name
N-benzylhydroxylamine
IUPAC name
N-benzylhydroxylamine
SMILES
c1(ccccc1)CNO
Common name
N-benzylhydroxylamine
IUPAC name
N-benzylhydroxylamine
SMILES
c1(ccccc1)CNO
INCHI
InChI=1S/C7H9NO/c9-8-6-7-4-2-1-3-5-7/h1-5,8-9H,6H2
FORMULA
C7H9NO
Common name
N-benzylhydroxylamine
IUPAC name
N-benzylhydroxylamine
Molecular weight
123.152
clogP
0.308
clogS
-1.476
Frequency
0.0007
HBond Acceptor
1
HBond Donor
2
Total PolarSurface Area
20.23
Number of Rings
1
Rotatable Bond
2
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00065 | Fluvoxamine |
|
Antidepressive Agents, Second-Generation; Anti-Anxiety Agents; Serotonin Uptake Inhibitors; Nervous System; Antidepressants; Psychoanaleptics; Selective Serotonin Reuptake Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP2C19 Inducers; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2B6 Inhibitors; CYP2B6 Inhibitors (strong); CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP2E1 Inhibitors; CYP2E1 Inducers; CYP2E1 Inducers (strong); CYP3A4 Inhibitors; Combined Inhibitors of CYP3A4 and P-glycoprotein; | For management of depression and for Obsessive Compulsive Disorder (OCD). Has also been used in the management of bulimia nervosa. |
| FDBD01053 | Ridogrel |
|
Platelet Aggregation Inhibitors; Gastrointestinal Agents; Enzyme Inhibitors; Thrombolytic Agents; | Used as an adjunctive therapy to induce thrombolysis in patients suffering acute myocardial infarction. |
2 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4mm9_ligand_2_35.mol2 | 4mm9 | 1 | -6.77 | O[NH2+]Cc1ccccc1 | 9 |
| 4zh2_ligand_frag_1.mol2 | 4zh2 | 1 | -6.45 | c1cc(ccc1)C[NH2+]O | 9 |
| 2nv7_ligand_1_0.mol2 | 2nv7 | 0.96 | -7.86 | c1ccc2c(c1)c(ccc2)C[NH2+]O | 13 |
| 4mm9_ligand_3_100.mol2 | 4mm9 | 0.827586 | -7.14 | O[NH2+][C@H](C)c1ccccc1 | 10 |
| 4mm9_ligand_3_110.mol2 | 4mm9 | 0.827586 | -6.87 | CO[NH2+]Cc1ccccc1 | 10 |
| 1w22_ligand_1_3.mol2 | 1w22 | 0.75 | -7.36 | c1ccc(cc1)C(=O)NO | 10 |
| 3fui_ligand_2_14.mol2 | 3fui | 0.75 | -7.04 | C([NH3+])c1ccccc1 | 8 |
| 4umu_ligand_1_6.mol2 | 4umu | 0.75 | -6.99 | c1ccccc1C[NH3+] | 8 |
| 3fu6_ligand_1_1.mol2 | 3fu6 | 0.75 | -6.92 | C([NH3+])c1ccccc1 | 8 |
191 ,
20
