General Information of the Compound
| Compound ID |
CP0407999
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-bromo-N-(3-ethoxypropyl)-11-ethyldibenzo[b,f][1,4]thiazepine-8-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H23BrN2O2S
|
||||||||||||||||||
| Molecular Weight |
447.398
|
||||||||||||||||||
| Canonical SMILES |
CCOCCCNC(=O)c1ccc2Sc3ccc(Br)cc3C(CC)=Nc2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H23BrN2O2S/c1-3-17-16-13-15(22)7-9-19(16)27-20-8-6-14(12-18(20)24-17)21(25)23-10-5-11-26-4-2/h6-9,12-13H,3-5,10-11H2,1-2H3,(H,23,25)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ANXOZKCBYCVCHA-UHFFFAOYSA-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
Protein ID: PT06109, Geminin
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06124, Paired box protein Pax-8