General Information of the Compound
| Compound ID |
CP0379997
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[4-chloro-6-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]pyrimidin-2-yl]sulfanyl-2-naphthalen-1-ylacetic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H16Cl2N4O2S2
|
||||||||||||||||||
| Molecular Weight |
539.469
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)C(Sc1nc(Cl)cc(Nc2nc(cs2)-c2ccc(Cl)cc2)n1)c1cccc2ccccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H16Cl2N4O2S2/c26-16-10-8-15(9-11-16)19-13-34-24(28-19)30-21-12-20(27)29-25(31-21)35-22(23(32)33)18-7-3-5-14-4-1-2-6-17(14)18/h1-13,22H,(H,32,33)(H,28,29,30,31)
Show/Hide
|
||||||||||||||||||
| InChIKey |
UCPBLSHCPJHPDF-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