Common name
5-phenyl-1H-imidazole
IUPAC name
5-phenyl-1H-imidazole
SMILES
c1c([nH]cn1)c2ccccc2
Common name
5-phenyl-1H-imidazole
IUPAC name
5-phenyl-1H-imidazole
SMILES
c1c([nH]cn1)c2ccccc2
INCHI
InChI=1S/C9H8N2/c1-2-4-8(5-3-1)9-6-10-7-11-9/h1-7H,(H,10,11)
FORMULA
C9H8N2
Common name
5-phenyl-1H-imidazole
IUPAC name
5-phenyl-1H-imidazole
Molecular weight
144.173
clogP
2.647
clogS
-2.669
Frequency
0.0007
HBond Acceptor
1
HBond Donor
1
Total PolarSurface Area
28.68
Number of Rings
2
Rotatable Bond
1
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD01682 | Daclatasvir |
|
Antiinfectives for Systemic Use; Direct Acting Antivirals; Antivirals for Systemic Use; CYP3A4 Inhibitors; | Daklinza is used to treat patients who have chronic hepatitis C virus (HCV) genotype 3 infection. Daklinza is typically taken in conjunction with sofosbuvir. (2). |
| FDBD01773 | Eluxadoline |
|
Gastrointestinal Agents; | For the treatment of irritable bowel syndrome with diarrhea (IBS-D). |
2 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4yqh_ligand_1_0.mol2 | 4yqh | 1 | -6.99 | c1ccccc1c1[nH+]c[nH]c1 | 11 |
| 4xua_ligand_1_3.mol2 | 4xua | 1 | -6.78 | c1(ccccc1)c1[nH]c[nH+]c1 | 11 |
| 4ty6_ligand_1_6.mol2 | 4ty6 | 1 | -6.30 | c1cc(ccc1)c1[nH+]c[nH]c1 | 11 |
| 4yt7_ligand_1_1.mol2 | 4yt7 | 1 | -6.26 | c1(c[nH+]c[nH]1)c1ccccc1 | 11 |
| 4yt6_ligand_1_8.mol2 | 4yt6 | 1 | -6.18 | c1ccc(cc1)c1c[nH+]c[nH]1 | 11 |
| 2veu_ligand_1_3.mol2 | 2veu | 1 | -5.64 | c1ccc(cc1)c1c[nH+]c[nH]1 | 11 |
| 4xua_ligand_1_4.mol2 | 4xua | 0.851852 | -6.56 | c1(ccc(cc1)C#N)c1[nH+]c[nH]c1 | 13 |
| 1ouk_ligand_1_4.mol2 | 1ouk | 0.807018 | -6.83 | c1c([nH]c[n+]1C)c1ccccc1 | 12 |
| 4xua_ligand_2_7.mol2 | 4xua | 0.807018 | -6.83 | c1(ccccc1)c1[nH]c[n+](C)c1 | 12 |
| 4o7e_ligand_1_1.mol2 | 4o7e | 0.793103 | -6.06 | c1(cc(ccc1)O)c1[nH+]c[nH]c1 | 12 |
112 ,
12
