General Information of the Compound
| Compound ID |
CP0520062
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[(6S)-6-(6-methylpyridin-2-yl)-3-methylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]propan-1-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H19N5O2S
|
||||||||||||||||||
| Molecular Weight |
393.472
|
||||||||||||||||||
| Canonical SMILES |
CCC(=O)N1[C@@H](Oc2nc(SC)nnc2-c2ccccc12)c1cccc(C)n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H19N5O2S/c1-4-16(26)25-15-11-6-5-9-13(15)17-18(22-20(28-3)24-23-17)27-19(25)14-10-7-8-12(2)21-14/h5-11,19H,4H2,1-3H3/t19-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
VHUWJIZJWUCHOR-IBGZPJMESA-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