General Information of the Compound
| Compound ID |
CP0530866
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(3,4-dichlorophenyl)-6-(methyloxy)-7-[({2- [(2S)-1-methylpyrrolidin-2-yl]-1,3-thiazol-4- yl}methyl)oxy]quinazolin-4-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H23Cl2N5O2S
|
||||||||||||||||||
| Molecular Weight |
516.454
|
||||||||||||||||||
| Canonical SMILES |
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCc1csc(n1)[C@@H]1CCCN1C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H23Cl2N5O2S/c1-31-7-3-4-20(31)24-30-15(12-34-24)11-33-22-10-19-16(9-21(22)32-2)23(28-13-27-19)29-14-5-6-17(25)18(26)8-14/h5-6,8-10,12-13,20H,3-4,7,11H2,1-2H3,(H,27,28,29)/t20-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
QHTZGTDGFHTCOG-FQEVSTJZSA-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