General Information of the Compound
| Compound ID |
CP0449738
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[2-(2-tert-butylphenoxy)pyridin-3-yl]-5-(2-fluorophenyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H21F4N3OS
|
||||||||||||||||||
| Molecular Weight |
487.522
|
||||||||||||||||||
| Canonical SMILES |
CC(C)(C)c1ccccc1Oc1ncccc1Nc1nc(c(s1)-c1ccccc1F)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H21F4N3OS/c1-24(2,3)16-10-5-7-13-19(16)33-22-18(12-8-14-30-22)31-23-32-21(25(27,28)29)20(34-23)15-9-4-6-11-17(15)26/h4-14H,1-3H3,(H,31,32)
Show/Hide
|
||||||||||||||||||
| InChIKey |
OIULJASWIDBWMH-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