General Information of the Compound
| Compound ID |
CP0555862
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(3-chloro-4-fluorophenyl)-6-(1,3-thiazol-5-yl)-8-(trifluoromethyl)quinazolin-4-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H9ClF4N4S
|
||||||||||||||||||
| Molecular Weight |
424.81
|
||||||||||||||||||
| Canonical SMILES |
Fc1ccc(Nc2ncnc3c(cc(cc23)-c2cncs2)C(F)(F)F)cc1Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H9ClF4N4S/c19-13-5-10(1-2-14(13)20)27-17-11-3-9(15-6-24-8-28-15)4-12(18(21,22)23)16(11)25-7-26-17/h1-8H,(H,25,26,27)
Show/Hide
|
||||||||||||||||||
| InChIKey |
OAYVTXJSLVPLQP-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