General Information of the Compound
| Compound ID |
CP0559827
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[4-(5-chloro-2-methoxyphenyl)-1,3-thiazol-2-yl]-4-(pyrimidin-4-ylamino)benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H16ClN5O2S
|
||||||||||||||||||
| Molecular Weight |
437.912
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(Cl)cc1-c1csc(NC(=O)c2ccc(Nc3ccncn3)cc2)n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H16ClN5O2S/c1-29-18-7-4-14(22)10-16(18)17-11-30-21(26-17)27-20(28)13-2-5-15(6-3-13)25-19-8-9-23-12-24-19/h2-12H,1H3,(H,23,24,25)(H,26,27,28)
Show/Hide
|
||||||||||||||||||
| InChIKey |
IGIJXNHGHSMYTP-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