General Information of the Compound
| Compound ID |
CP0466844
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[2-(2-tert-butylphenoxy)pyridin-3-yl]-5-methyl-4-(trifluoromethyl)-1,3-thiazol-2-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H20F3N3OS
|
||||||||||||||||||
| Molecular Weight |
407.461
|
||||||||||||||||||
| Canonical SMILES |
Cc1sc(Nc2cccnc2Oc2ccccc2C(C)(C)C)nc1C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H20F3N3OS/c1-12-16(20(21,22)23)26-18(28-12)25-14-9-7-11-24-17(14)27-15-10-6-5-8-13(15)19(2,3)4/h5-11H,1-4H3,(H,25,26)
Show/Hide
|
||||||||||||||||||
| InChIKey |
WKEMPOYEXIJENE-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