General Information of the Compound
| Compound ID |
CP0036597
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[5-Chloro-2-(1-methyl-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepin-7-ylamino)-pyrimidin-4-ylamino]-N-methyl-benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H23ClN6O2
|
||||||||||||||||||
| Molecular Weight |
450.93
|
||||||||||||||||||
| Canonical SMILES |
CNC(=O)c1ccccc1Nc1nc(Nc2ccc3N(C)C(=O)CCCc3c2)ncc1Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H23ClN6O2/c1-25-22(32)16-7-3-4-8-18(16)28-21-17(24)13-26-23(29-21)27-15-10-11-19-14(12-15)6-5-9-20(31)30(19)2/h3-4,7-8,10-13H,5-6,9H2,1-2H3,(H,25,32)(H2,26,27,28,29)
Show/Hide
|
||||||||||||||||||
| InChIKey |
JHZOJILVCGEIFB-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