General Information of the Compound
| Compound ID |
CP0287786
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[2-(9-Acetyl-6,7,8,9-tetrahydro-5-oxa-9-aza-benzocyclohepten-2-ylamino)-5-chloro-pyrimidin-4-ylamino]-3-fluoro-N-methyl-benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H22ClFN6O3
|
||||||||||||||||||
| Molecular Weight |
484.919
|
||||||||||||||||||
| Canonical SMILES |
CNC(=O)c1cccc(F)c1Nc1nc(Nc2ccc3OCCCN(C(C)=O)c3c2)ncc1Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H22ClFN6O3/c1-13(32)31-9-4-10-34-19-8-7-14(11-18(19)31)28-23-27-12-16(24)21(30-23)29-20-15(22(33)26-2)5-3-6-17(20)25/h3,5-8,11-12H,4,9-10H2,1-2H3,(H,26,33)(H2,27,28,29,30)
Show/Hide
|
||||||||||||||||||
| InChIKey |
CZVMMNLRDFMWFN-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