Common name
6-(2-furyl)quinazoline
IUPAC name
6-(2-furyl)quinazoline
SMILES
o1cccc1c2cc3c(ncnc3)cc2
Common name
6-(2-furyl)quinazoline
IUPAC name
6-(2-furyl)quinazoline
SMILES
o1cccc1c2cc3c(ncnc3)cc2
INCHI
InChI=1S/C12H8N2O/c1-2-12(15-5-1)9-3-4-11-10(6-9)7-13-8-14-11/h1-8H
FORMULA
C12H8N2O
Common name
6-(2-furyl)quinazoline
IUPAC name
6-(2-furyl)quinazoline
Molecular weight
196.205
clogP
2.925
clogS
-3.852
Frequency
0.0003
HBond Acceptor
3
HBond Donor
0
Total PolarSurface Area
38.92
Number of Rings
3
Rotatable Bond
1
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD01101 | Lapatinib |
|
Antineoplastic Agents; Protein Kinase Inhibitors; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2C19 Inducers; Cytochrome P-450 CYP2C8 Inducers; CYP3A4 Inhibitors; Combined Inhibitors of CYP3A4 and P-glycoprotein; | Indicated in combination with capecitabine for the treatment of patients with advanced or metastatic breast cancer whose tumors overexpress the human epidermal receptor type 2 (HER2) protein and who have received prior therapy including an anthracycline, a taxane, and trastuzuma. |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1xkk_ligand_1_4.mol2 | 1xkk | 1 | -7.49 | c1(ccc2ncncc2c1)c1ccco1 | 15 |
| 4jbo_ligand_1_4.mol2 | 4jbo | 0.631579 | -7.67 | c1(oc2c(c1)cncn2)c1ccccc1 | 15 |
| 4jbp_ligand_1_4.mol2 | 4jbp | 0.631579 | -7.61 | c1ccc(cc1)c1oc2c(c1)cncn2 | 15 |
| 2brb_ligand_1_0.mol2 | 2brb | 0.631579 | -7.52 | c1nc2oc(cc2cn1)c1ccccc1 | 15 |
| 4jq8_ligand_1_5.mol2 | 4jq8 | 0.631579 | -7.49 | c1c2c(oc1c1ccccc1)ncnc2 | 15 |
| 2br1_ligand_1_5.mol2 | 2br1 | 0.631579 | -7.47 | c1(ccccc1)c1cc2cncnc2o1 | 15 |
| 4jrv_ligand_1_6.mol2 | 4jrv | 0.631579 | -7.45 | c1c2c(oc1c1ccccc1)ncnc2 | 15 |
| 2brg_ligand_1_0.mol2 | 2brg | 0.631579 | -7.42 | c1(ccccc1)c1oc2ncncc2c1 | 15 |
144 ,
15
