General Information of the Compound
| Compound ID |
CP0526360
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[(6S)-3-ethylsulfanyl-6-(furan-2-yl)-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]propan-1-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H18N4O3S
|
||||||||||||||||||
| Molecular Weight |
382.445
|
||||||||||||||||||
| Canonical SMILES |
CCSc1nnc-2c(O[C@H](N(C(=O)CC)c3ccccc-23)c2ccco2)n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H18N4O3S/c1-3-15(24)23-13-9-6-5-8-12(13)16-17(20-19(22-21-16)27-4-2)26-18(23)14-10-7-11-25-14/h5-11,18H,3-4H2,1-2H3/t18-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
QLBWSFDFXYAIPF-SFHVURJKSA-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