General Information of the Compound
| Compound ID |
CP0492221
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[(6S)-3-prop-2-enylsulfanyl-6-[(E)-2-thiophen-2-ylethenyl]-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]ethanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H18N4O2S2
|
||||||||||||||||||
| Molecular Weight |
422.535
|
||||||||||||||||||
| Canonical SMILES |
CC(=O)N1[C@@H](Oc2nc(SCC=C)nnc2-c2ccccc12)\C=C\c1cccs1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H18N4O2S2/c1-3-12-29-21-22-20-19(23-24-21)16-8-4-5-9-17(16)25(14(2)26)18(27-20)11-10-15-7-6-13-28-15/h3-11,13,18H,1,12H2,2H3/b11-10+/t18-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
KMIQLXSDVVOYEF-ZGKFYVQTSA-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