General Information of the Compound
| Compound ID |
CP0505043
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[[2-(3,5-difluorophenyl)-5-propyl-1,3-thiazol-4-yl]methylsulfanyl]pyrimidine-4,6-diamine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H17F2N5S2
|
||||||||||||||||||
| Molecular Weight |
393.488
|
||||||||||||||||||
| Canonical SMILES |
CCCc1sc(nc1CSc1nc(N)cc(N)n1)-c1cc(F)cc(F)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H17F2N5S2/c1-2-3-13-12(8-25-17-23-14(20)7-15(21)24-17)22-16(26-13)9-4-10(18)6-11(19)5-9/h4-7H,2-3,8H2,1H3,(H4,20,21,23,24)
Show/Hide
|
||||||||||||||||||
| InChIKey |
PUAKSLNEMOBIAN-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