General Information of the Compound
| Compound ID |
CP0379998
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[4-chloro-6-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]pyrimidin-2-yl]sulfanylacetic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C15H10Cl2N4O2S2
|
||||||||||||||||||
| Molecular Weight |
413.311
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)CSc1nc(Cl)cc(Nc2nc(cs2)-c2ccc(Cl)cc2)n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C15H10Cl2N4O2S2/c16-9-3-1-8(2-4-9)10-6-24-14(18-10)20-12-5-11(17)19-15(21-12)25-7-13(22)23/h1-6H,7H2,(H,22,23)(H,18,19,20,21)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ICVVXTDMPDJJEV-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: PT01242, Polyunsaturated fatty acid 5-lipoxygenase
Protein ID: PT02025, Prostaglandin E synthase