Common name
6-propoxyquinazoline
IUPAC name
6-propoxyquinazoline
SMILES
C(Oc1cc2c(ncnc2)cc1)CC
Common name
6-propoxyquinazoline
IUPAC name
6-propoxyquinazoline
SMILES
C(Oc1cc2c(ncnc2)cc1)CC
INCHI
InChI=1S/C11H12N2O/c1-2-5-14-10-3-4-11-9(6-10)7-12-8-13-11/h3-4,6-8H,2,5H2,1H3
FORMULA
C11H12N2O
Common name
6-propoxyquinazoline
IUPAC name
6-propoxyquinazoline
Molecular weight
188.226
clogP
2.581
clogS
-3.510
Frequency
0.0003
HBond Acceptor
3
HBond Donor
0
Total PolarSurface Area
35.01
Number of Rings
2
Rotatable Bond
3
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00203 | Gefitinib |
|
Antineoplastic Agents; Protein Kinase Inhibitors; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP2C19 Inducers; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; | For the continued treatment of patients with locally advanced or metastatic non-small cell lung cancer after failure of either platinum-based or docetaxel chemotherapies. |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2itz_ligand_4_35.mol2 | 2itz | 1 | -6.89 | CCCOc1ccc2c(c1)cncn2 | 14 |
| 2ito_ligand_4_35.mol2 | 2ito | 1 | -6.88 | O(c1ccc2c(c1)cncn2)CCC | 14 |
| 2ity_ligand_4_38.mol2 | 2ity | 1 | -6.73 | O(c1ccc2c(c1)cncn2)CCC | 14 |
| 2ito_ligand_3_36.mol2 | 2ito | 0.901961 | -6.88 | O(c1ccc2c(c1)cncn2)CC | 13 |
| 2bak_ligand_3_116.mol2 | 2bak | 0.901961 | -6.85 | O(CC)c1ccc2ncncc2c1 | 13 |
| 2itz_ligand_3_36.mol2 | 2itz | 0.901961 | -6.83 | C(C)Oc1ccc2c(c1)cncn2 | 13 |
| 2ity_ligand_3_39.mol2 | 2ity | 0.901961 | -6.75 | O(c1ccc2c(c1)cncn2)CC | 13 |
102 ,
11
