General Information of the Compound
| Compound ID |
CP0490681
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
6-[4-({[3-(2,6-Dichlorophenyl)-5-(1-methylethyl)-4-isoxazolyl]methyl}oxy)phenyl]-4-methyl-2-quinazolinecarboxylic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H23Cl2N3O4
|
||||||||||||||||||
| Molecular Weight |
548.426
|
||||||||||||||||||
| Canonical SMILES |
CC(C)c1onc(c1COc1ccc(cc1)-c1ccc2nc(nc(C)c2c1)C(O)=O)-c1c(Cl)cccc1Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H23Cl2N3O4/c1-15(2)27-21(26(34-38-27)25-22(30)5-4-6-23(25)31)14-37-19-10-7-17(8-11-19)18-9-12-24-20(13-18)16(3)32-28(33-24)29(35)36/h4-13,15H,14H2,1-3H3,(H,35,36)
Show/Hide
|
||||||||||||||||||
| InChIKey |
RSLAFOLGPJPGON-UHFFFAOYSA-N
|
||||||||||||||||||
| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
|
|---|
Table of Molecular Bioactivities Related to the Compound