Common name
1-chloro-4-methoxy-benzene
IUPAC name
1-chloro-4-methoxy-benzene
SMILES
O(c1ccc(cc1)Cl)C
Common name
1-chloro-4-methoxy-benzene
IUPAC name
1-chloro-4-methoxy-benzene
SMILES
O(c1ccc(cc1)Cl)C
INCHI
InChI=1S/C7H7ClO/c1-9-7-4-2-6(8)3-5-7/h2-5H,1H3
FORMULA
C7H7ClO
Common name
1-chloro-4-methoxy-benzene
IUPAC name
1-chloro-4-methoxy-benzene
Molecular weight
142.583
clogP
2.483
clogS
-2.510
Frequency
0.0021
HBond Acceptor
1
HBond Donor
0
Total PolarSurface Area
9.23
Number of Rings
1
Rotatable Bond
1
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00716 | Chlorphenesin |
|
Muscle Relaxants, Central; Dermatologicals; Antifungals for Topical Use; Antifungals for Dermatological Use; CYP3A4 Inhibitors; | Used along with rest and physical therapy to treat injuries and other painful muscular conditions. Investigated for use in trigeminal neuralgia (tic douloureux); a neuropathic disorder characterized by severe facial pain. Was investigated as a modulator of histamine release. |
| FDBD00870 | Glyburide |
|
Hypoglycemic Agents; Anti-Arrhythmia Agents; Drugs Used in Diabetes; Alimentary Tract and Metabolism; Blood Glucose Lowering Drugs, Excl. Insulins; Sulfonylureas; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP2C19 Inducers; CYP3A4 Inhibitors; BSEP/ABCB11 Inhibitors; Combined Inhibitors of CYP3A4 and P-glycoprotein; | Indicated as an adjunct to diet to lower the blood glucose in patients with NIDDM whose hyperglycemia cannot be satisfactorily controlled by diet alone. |
| FDBD02626 | 4-CPB |
|
Herbicide | Herbicide |
| FDBD03042 | climbazole |
|
Fungicide | Fungicide |
| FDBD03077 | triadimefon |
|
Fungicide | Fungicide |
| FDBD03078 | triadimenol |
|
Fungicide | Fungicide |
6 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4dt6_ligand_2_25.mol2 | 4dt6 | 1 | -6.91 | O(c1ccc(Cl)cc1)C | 9 |
| 3drp_ligand_2_7.mol2 | 3drp | 1 | -6.89 | O(c1ccc(Cl)cc1)C | 9 |
| 3c6u_ligand_2_5.mol2 | 3c6u | 1 | -6.86 | COc1ccc(cc1)Cl | 9 |
| 4dum_ligand_2_4.mol2 | 4dum | 1 | -6.82 | O(c1ccc(Cl)cc1)C | 9 |
| 4wk7_ligand_2_8.mol2 | 4wk7 | 1 | -6.82 | c1cc(ccc1OC)Cl | 9 |
| 3drs_ligand_2_12.mol2 | 3drs | 1 | -6.79 | O(C)c1ccc(Cl)cc1 | 9 |
| 3drr_ligand_2_7.mol2 | 3drr | 1 | -6.78 | COc1ccc(Cl)cc1 | 9 |
| 1ta6_ligand_2_30.mol2 | 1ta6 | 1 | -6.62 | O(C)c1ccc(cc1)Cl | 9 |
| 2qe5_ligand_2_5.mol2 | 2qe5 | 1 | -6.59 | c1(ccc(cc1)Cl)OC | 9 |
| 1uyd_ligand_1_2.mol2 | 1uyd | 1 | -6.56 | c1c(ccc(c1)OC)Cl | 9 |
100 ,
11
