General Information of the Compound
| Compound ID |
CP0557490
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[4-chloro-6-[(5-ethyl-4-phenyl-1,3-thiazol-2-yl)amino]pyrimidin-2-yl]sulfanyloctanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H27ClN4O2S2
|
||||||||||||||||||
| Molecular Weight |
491.082
|
||||||||||||||||||
| Canonical SMILES |
CCCCCCC(Sc1nc(Cl)cc(Nc2nc(c(CC)s2)-c2ccccc2)n1)C(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H27ClN4O2S2/c1-3-5-6-10-13-17(21(29)30)32-22-25-18(24)14-19(26-22)27-23-28-20(16(4-2)31-23)15-11-8-7-9-12-15/h7-9,11-12,14,17H,3-6,10,13H2,1-2H3,(H,29,30)(H,25,26,27,28)
Show/Hide
|
||||||||||||||||||
| InChIKey |
SUMBHZBCTZVPCA-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