Common name
(1R)-1-(2,4-dichlorophenyl)-2-imidazol-1-yl-ethanethiol
IUPAC name
(1R)-1-(2,4-dichlorophenyl)-2-imidazol-1-yl-ethanethiol
SMILES
SC(c1c(cc(cc1)Cl)Cl)Cn2ccnc2
Common name
(1R)-1-(2,4-dichlorophenyl)-2-imidazol-1-yl-ethanethiol
IUPAC name
(1R)-1-(2,4-dichlorophenyl)-2-imidazol-1-yl-ethanethiol
SMILES
SC(c1c(cc(cc1)Cl)Cl)Cn2ccnc2
INCHI
InChI=1S/C11H10Cl2N2S/c12-8-1-2-9(10(13)5-8)11(16)6-15-4-3-14-7-15/h1-5,7,11,16H,6H2/t11-/m0/s1
FORMULA
C11H10Cl2N2S
Common name
(1R)-1-(2,4-dichlorophenyl)-2-imidazol-1-yl-ethanethiol
IUPAC name
(1R)-1-(2,4-dichlorophenyl)-2-imidazol-1-yl-ethanethiol
Molecular weight
274.189
clogP
2.243
clogS
-3.817
Frequency
0.0003
HBond Acceptor
0
HBond Donor
2
Total PolarSurface Area
58.47
Number of Rings
2
Rotatable Bond
3
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD01504 | Sulconazole |
|
Dermatologicals; Imidazole and Triazole Derivatives; Antifungals for Topical Use; Antifungals for Dermatological Use; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP2C9 Inducers; | Sulconazole solution 1.0% is indicated for the treatment of tinea cruris and tinea corporis caused by Trichophyton rubrum, Trichophyton mentagrophytes, Epidermophyton floccosum, and Microsporum canis; and for the treatment of tinea versicolor. Effectiveness has not been proven in tinea pedis (athlete's foot). |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2w71_ligand_2_0.mol2 | 2w71 | 0.520833 | -7.17 | C(c1c(Cl)cccc1Cl)[n+]1cc[nH]c1C | 15 |
| 2afx_ligand.mol2 | 2afx | 0.487805 | -6.89 | c1cncn1Cc1ccccc1 | 13 |
| 4d8n_ligand_2_0.mol2 | 4d8n | 0.487805 | -5.94 | [n+]1(cc[nH]c1)Cc1ccccc1 | 12 |
| 1s64_ligand_2_9.mol2 | 1s64 | 0.444444 | -6.48 | c1[n+](c[nH]c1)Cc1ccc(cc1)C#N | 14 |
| 1s63_ligand_2_9.mol2 | 1s63 | 0.444444 | -6.03 | c1[n+](c[nH]c1)Cc1ccc(cc1)C#N | 14 |
| 1n9a_ligand_2_7.mol2 | 1n9a | 0.444444 | -5.71 | c1c(ccc(c1)C#N)C[n+]1c[nH]cc1 | 14 |
| 4jvb_ligand_2_0.mol2 | 4jvb | 0.442105 | -8.21 | [n+]1(c2ccccc2[nH]c1)Cc1ccccc1 | 16 |
101 ,
11
