Common name
2-chlorobenzamide
IUPAC name
2-chlorobenzamide
SMILES
Clc1c(cccc1)C(=O)N
Common name
2-chlorobenzamide
IUPAC name
2-chlorobenzamide
SMILES
Clc1c(cccc1)C(=O)N
INCHI
InChI=1S/C7H6ClNO/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,(H2,9,10)
FORMULA
C7H6ClNO
Common name
2-chlorobenzamide
IUPAC name
2-chlorobenzamide
Molecular weight
155.582
clogP
1.619
clogS
-1.983
Frequency
0.0007
HBond Acceptor
1
HBond Donor
2
Total PolarSurface Area
43.09
Number of Rings
1
Rotatable Bond
1
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD01538 | Vismodegib |
|
Antineoplastic Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP2C19 Inducers; Cytochrome P-450 CYP2C8 Inducers; CYP3A4 Inhibitors; | Vismodegib is used for treating locally advanced or metastatic basal cell carcinoma in patients whose carcinoma has recurred after surgery, and in patients who are not candidates for surgery or radiation. |
| FDBD01917 | cyhalodiamide |
|
Insecticide | Insecticide |
2 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4fc0_ligand_1_3.mol2 | 4fc0 | 1 | -6.68 | c1(ccccc1Cl)C(=O)N | 10 |
| 4dbn_ligand_1_4.mol2 | 4dbn | 1 | -6.67 | NC(=O)c1ccccc1Cl | 10 |
| 2y4a_ligand_1_2.mol2 | 2y4a | 1 | -6.57 | NC(=O)c1c(Cl)cccc1 | 10 |
| 5egm_ligand_1_1.mol2 | 5egm | 1 | -6.54 | C(=O)(N)c1c(Cl)cccc1 | 10 |
| 2y2h_ligand_1_0.mol2 | 2y2h | 1 | -6.52 | O=C(N)c1c(Cl)cccc1 | 10 |
| 4r4c_ligand_1_1.mol2 | 4r4c | 1 | -6.26 | c1(ccccc1Cl)C(=O)N | 10 |
| 3h0y_ligand_1_5.mol2 | 3h0y | 1 | -6.12 | NC(=O)c1c(Cl)cccc1 | 10 |
448 ,
45
