General Information of the Compound
| Compound ID |
CP0571898
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(4-chlorophenyl)-5-[[4-(piperidin-4-ylmethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H23ClF3N7O
|
||||||||||||||||||
| Molecular Weight |
505.932
|
||||||||||||||||||
| Canonical SMILES |
FC(F)(F)c1cnc(Nc2ccc(nc2)C(=O)Nc2ccc(Cl)cc2)nc1NCC1CCNCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H23ClF3N7O/c24-15-1-3-16(4-2-15)32-21(35)19-6-5-17(12-29-19)33-22-31-13-18(23(25,26)27)20(34-22)30-11-14-7-9-28-10-8-14/h1-6,12-14,28H,7-11H2,(H,32,35)(H2,30,31,33,34)
Show/Hide
|
||||||||||||||||||
| InChIKey |
SJLNUWWHLHCSRT-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 | |||||||||||||||||||
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: PT00888, Mast/stem cell growth factor receptor Kit
Protein ID: PT01204, Receptor-type tyrosine-protein kinase FLT3