General Information of the Compound
| Compound ID |
CP0163407
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[[2-[(3-amino-5,5-dimethyl-2-oxo-3,4-dihydro-1H-1-benzazepin-8-yl)amino]-5-chloropyrimidin-4-yl]amino]-3-fluoro-N-methylbenzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H25ClFN7O2
|
||||||||||||||||||
| Molecular Weight |
497.962
|
||||||||||||||||||
| Canonical SMILES |
CNC(=O)c1cccc(F)c1Nc1nc(Nc2ccc3c(NC(=O)C(N)CC3(C)C)c2)ncc1Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H25ClFN7O2/c1-24(2)10-17(27)22(35)31-18-9-12(7-8-14(18)24)30-23-29-11-15(25)20(33-23)32-19-13(21(34)28-3)5-4-6-16(19)26/h4-9,11,17H,10,27H2,1-3H3,(H,28,34)(H,31,35)(H2,29,30,32,33)
Show/Hide
|
||||||||||||||||||
| InChIKey |
HAFZQSVDZNBXHX-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