General Information of the Compound
| Compound ID |
CP0374200
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[4-[(6S)-7-acetyl-3-prop-2-enylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-2-ethoxyphenyl] acetate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H24N4O5S
|
||||||||||||||||||
| Molecular Weight |
492.557
|
||||||||||||||||||
| Canonical SMILES |
CCOc1cc(ccc1OC(C)=O)[C@@H]1Oc2nc(SCC=C)nnc2-c2ccccc2N1C(C)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H24N4O5S/c1-5-13-35-25-26-23-22(27-28-25)18-9-7-8-10-19(18)29(15(3)30)24(34-23)17-11-12-20(33-16(4)31)21(14-17)32-6-2/h5,7-12,14,24H,1,6,13H2,2-4H3/t24-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
TYYWQKGOAITUAW-DEOSSOPVSA-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