General Information of the Compound
| Compound ID |
CP0243910
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(5-chloro-2-(1-ethyl-5,5-dimethyl-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepin-7-ylamino)pyrimidin-4-ylamino)-3-fluoro-N-methylbenzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H28ClFN6O2
|
||||||||||||||||||
| Molecular Weight |
511.001
|
||||||||||||||||||
| Canonical SMILES |
CCN1c2ccc(Nc3ncc(Cl)c(Nc4c(F)cccc4C(=O)NC)n3)cc2C(C)(C)CCC1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H28ClFN6O2/c1-5-34-20-10-9-15(13-17(20)26(2,3)12-11-21(34)35)31-25-30-14-18(27)23(33-25)32-22-16(24(36)29-4)7-6-8-19(22)28/h6-10,13-14H,5,11-12H2,1-4H3,(H,29,36)(H2,30,31,32,33)
Show/Hide
|
||||||||||||||||||
| InChIKey |
MIXZFFBSISECDQ-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