General Information of the Compound
| Compound ID |
CP0329998
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(4-dodecanoylpiperazine-1-carbonyl)-4-ethyl-1,4-benzothiazin-3-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H41N3O3S
|
||||||||||||||||||
| Molecular Weight |
487.71
|
||||||||||||||||||
| Canonical SMILES |
CCCCCCCCCCCC(=O)N1CCN(CC1)C(=O)C1Sc2ccccc2N(CC)C1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H41N3O3S/c1-3-5-6-7-8-9-10-11-12-17-24(31)28-18-20-29(21-19-28)26(32)25-27(33)30(4-2)22-15-13-14-16-23(22)34-25/h13-16,25H,3-12,17-21H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
XYZOIFFVJMUJJL-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