Common name
1-bromo-3-fluoro-benzene
IUPAC name
1-bromo-3-fluoro-benzene
SMILES
Brc1cc(ccc1)F
Common name
1-bromo-3-fluoro-benzene
IUPAC name
1-bromo-3-fluoro-benzene
SMILES
Brc1cc(ccc1)F
INCHI
InChI=1S/C6H4BrF/c7-5-2-1-3-6(8)4-5/h1-4H
FORMULA
C6H4BrF
Common name
1-bromo-3-fluoro-benzene
IUPAC name
1-bromo-3-fluoro-benzene
Molecular weight
174.998
clogP
2.999
clogS
-2.919
Frequency
0.0003
HBond Acceptor
0
HBond Donor
0
Total PolarSurface Area
0
Number of Rings
1
Rotatable Bond
0
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD01367 | Vandetanib |
|
Antineoplastic Agents; Protein Kinase Inhibitors; Antineoplastic and Immunomodulating Agents; CYP3A4 Inhibitors; | Vandetanib is currently approved as an alternative to local therapies for both unresectable and disseminated disease. Because Vandetanib can prolong the Q-T interval, it is contraindicated for use in patients with serious cardiac complications such as congenital long QT syndrome and uncompensated heart failure. |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3dya_ligand_frag_2.mol2 | 3dya | 1 | -6.85 | c1c(Br)cccc1F | 8 |
| 2ivu_ligand_frag_6.mol2 | 2ivu | 1 | -6.81 | c1ccc(Br)cc1F | 8 |
| 4ju4_ligand_frag_0.mol2 | 4ju4 | 1 | -6.52 | c1(cc(ccc1)Br)F | 8 |
| 2ivu_ligand_1_5.mol2 | 2ivu | 0.785714 | -6.75 | Nc1ccc(Br)cc1F | 9 |
| 3dya_ligand_1_1.mol2 | 3dya | 0.733333 | -6.81 | c1(c(Br)cccc1F)O | 9 |
| 1w6j_ligand_frag_0.mol2 | 1w6j | 0.590909 | -7.05 | c1ccc(Br)cc1 | 7 |
| 4xt2_ligand_frag_2.mol2 | 4xt2 | 0.590909 | -7.01 | c1cc(Br)ccc1 | 7 |
| 5afj_ligand_frag_1.mol2 | 5afj | 0.590909 | -7.00 | c1ccc(Br)cc1 | 7 |
556 ,
56
