General Information of the Compound
| Compound ID |
CP0506186
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[(6S)-6-(2,4-dimethoxyphenyl)-3-methylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]butan-1-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H24N4O4S
|
||||||||||||||||||
| Molecular Weight |
452.536
|
||||||||||||||||||
| Canonical SMILES |
CCCC(=O)N1[C@@H](Oc2nc(SC)nnc2-c2ccccc12)c1ccc(OC)cc1OC
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H24N4O4S/c1-5-8-19(28)27-17-10-7-6-9-15(17)20-21(24-23(32-4)26-25-20)31-22(27)16-12-11-14(29-2)13-18(16)30-3/h6-7,9-13,22H,5,8H2,1-4H3/t22-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
RDPCDIUOTRRKHN-QFIPXVFZSA-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