Common name
4-chlorobenzaldehyde
IUPAC name
4-chlorobenzaldehyde
SMILES
O=Cc1ccc(cc1)Cl
Common name
4-chlorobenzaldehyde
IUPAC name
4-chlorobenzaldehyde
SMILES
O=Cc1ccc(cc1)Cl
INCHI
InChI=1S/C7H5ClO/c8-7-3-1-6(5-9)2-4-7/h1-5H
FORMULA
C7H5ClO
Common name
4-chlorobenzaldehyde
IUPAC name
4-chlorobenzaldehyde
Molecular weight
140.567
clogP
2.642
clogS
-2.329
Frequency
0.0007
HBond Acceptor
1
HBond Donor
0
Total PolarSurface Area
17.07
Number of Rings
1
Rotatable Bond
1
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00891 | Fenofibrate |
|
Anticholesteremic Agents; Hypolipidemic Agents; Lipid Modifying Agents, Plain; Lipid Modifying Agents; Cardiovascular System; Fibrates; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP2C8 Inducers; CYP3A4 Inhibitors; | For use as adjunctive therapy to diet to reduce elevated LDL-C, Total-C,Triglycerides and Apo B, and to increase HDL-C in adult patients with primary hypercholesterolemia or mixed dyslipidemia (Fredrickson Types IIa and IIb). |
| FDBD02510 | isoxachlortole |
|
Herbicide | Herbicide |
2 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3m96_ligand_1_3.mol2 | 3m96 | 1 | -6.65 | C(=O)c1ccc(cc1)Cl | 9 |
| 3doy_ligand_1_0.mol2 | 3doy | 1 | -6.59 | C(=O)c1ccc(Cl)cc1 | 9 |
| 3hd3_ligand_1_10.mol2 | 3hd3 | 1 | -5.66 | C(=O)c1ccc(cc1)Cl | 9 |
| 1inc_ligand_frag_0.mol2 | 1inc | 0.862069 | -6.01 | C(=O)c1c(Cl)cccc1 | 9 |
| 3m96_ligand_2_7.mol2 | 3m96 | 0.84375 | -6.90 | C(=O)(C)c1ccc(cc1)Cl | 10 |
| 3myq_ligand_2_7.mol2 | 3myq | 0.84375 | -6.89 | CC(=O)c1ccc(cc1)Cl | 10 |
| 4knm_ligand_1_1.mol2 | 4knm | 0.833333 | -6.73 | c1c(cccc1C=O)Cl | 9 |
| 4knn_ligand_1_0.mol2 | 4knn | 0.833333 | -6.70 | C(=O)c1cc(Cl)ccc1 | 9 |
113 ,
12
