General Information of the Compound
| Compound ID |
CP0447099
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2E)-N-[3-(4-ethyl-1-piperazinyl)propyl]-2-[(3-methylphenyl)methylidene]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H32N4O2S
|
||||||||||||||||||
| Molecular Weight |
464.635
|
||||||||||||||||||
| Canonical SMILES |
CCN1CCN(CCCNC(=O)c2ccc3S\C(=C\c4cccc(C)c4)C(=O)Nc3c2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H32N4O2S/c1-3-29-12-14-30(15-13-29)11-5-10-27-25(31)21-8-9-23-22(18-21)28-26(32)24(33-23)17-20-7-4-6-19(2)16-20/h4,6-9,16-18H,3,5,10-15H2,1-2H3,(H,27,31)(H,28,32)/b24-17+
Show/Hide
|
||||||||||||||||||
| InChIKey |
JSXANYJOQKBRSZ-JJIBRWJFSA-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: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06033, Microphthalmia-associated transcription factor