General Information of the Compound
| Compound ID |
CP0454239
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[3-[(6R)-7-acetyl-3-methylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]indol-1-yl]ethanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H19N5O3S
|
||||||||||||||||||
| Molecular Weight |
445.504
|
||||||||||||||||||
| Canonical SMILES |
CSc1nnc-2c(O[C@@H](N(C(C)=O)c3ccccc-23)c2cn(C(C)=O)c3ccccc23)n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H19N5O3S/c1-13(29)27-12-17(15-8-4-6-10-18(15)27)22-28(14(2)30)19-11-7-5-9-16(19)20-21(31-22)24-23(32-3)26-25-20/h4-12,22H,1-3H3/t22-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
USTJWQLCXFRSPD-JOCHJYFZSA-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