General Information of the Compound
| Compound ID |
CP0446660
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-[(E)-C-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-N-(2,4-dinitroanilino)carbonimidoyl]-N-(3,4-dichlorophenyl)-1,3-thiazol-2-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H16Cl2N6O6S
|
||||||||||||||||||
| Molecular Weight |
599.412
|
||||||||||||||||||
| Canonical SMILES |
[O-][N+](=O)c1ccc(N\N=C(/C=C/c2ccc3OCOc3c2)\c2cnc(Nc3ccc(Cl)c(Cl)c3)s2)c(c1)[N+]([O-])=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H16Cl2N6O6S/c26-17-5-3-15(10-18(17)27)29-25-28-12-24(40-25)20(6-1-14-2-8-22-23(9-14)39-13-38-22)31-30-19-7-4-16(32(34)35)11-21(19)33(36)37/h1-12,30H,13H2,(H,28,29)/b6-1+,31-20+
Show/Hide
|
||||||||||||||||||
| InChIKey |
YKVMDQPWQOYECA-HRMAVPTCSA-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