General Information of the Compound
| Compound ID |
CP0531857
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(E)-1-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]-8,9-dihydro-7H-pyrimido[5,4-h][1,5]benzoxazepin-6-yl]-4-morpholin-4-ylbut-2-en-1-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C32H31ClFN5O4
|
||||||||||||||||||
| Molecular Weight |
604.082
|
||||||||||||||||||
| Canonical SMILES |
Fc1cccc(COc2ccc(Nc3ncnc4cc5OCCCN(C(=O)\C=C\CN6CCOCC6)c5cc34)cc2Cl)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C32H31ClFN5O4/c33-26-17-24(7-8-29(26)43-20-22-4-1-5-23(34)16-22)37-32-25-18-28-30(19-27(25)35-21-36-32)42-13-3-10-39(28)31(40)6-2-9-38-11-14-41-15-12-38/h1-2,4-8,16-19,21H,3,9-15,20H2,(H,35,36,37)/b6-2+
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZIBGWVMVDVXMIC-QHHAFSJGSA-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