General Information of the Compound
| Compound ID |
CP0538954
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
6-[[2-[4-(2-fluoroethoxy)-3-methoxyphenyl]-1,3-thiazol-4-yl]methylsulfanyl]-1,3,5-triazine-2,4-diamine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C16H17FN6O2S2
|
||||||||||||||||||
| Molecular Weight |
408.484
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(ccc1OCCF)-c1nc(CSc2nc(N)nc(N)n2)cs1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H17FN6O2S2/c1-24-12-6-9(2-3-11(12)25-5-4-17)13-20-10(7-26-13)8-27-16-22-14(18)21-15(19)23-16/h2-3,6-7H,4-5,8H2,1H3,(H4,18,19,21,22,23)
Show/Hide
|
||||||||||||||||||
| InChIKey |
WHEQXLIIKBZBJO-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
Protein ID: PT01831, Deoxycytidine kinase
Protein ID: PT06167, Deoxycytidine kinase