General Information of the Compound
| Compound ID |
CP0579397
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[(2E)-2-[1-[(2,4-dichlorophenyl)methyl]-5,6-dihydro-4H-indazol-7-ylidene]ethyl] N-(4,5-dichlorothiophen-2-yl)sulfonylcarbamate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H17Cl4N3O4S2
|
||||||||||||||||||
| Molecular Weight |
581.33
|
||||||||||||||||||
| Canonical SMILES |
Clc1cc(sc1Cl)S(=O)(=O)NC(=O)OC\C=C1/CCCc2cnn(Cc3ccc(Cl)cc3Cl)c12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H17Cl4N3O4S2/c22-15-5-4-14(16(23)8-15)11-28-19-12(2-1-3-13(19)10-26-28)6-7-32-21(29)27-34(30,31)18-9-17(24)20(25)33-18/h4-6,8-10H,1-3,7,11H2,(H,27,29)/b12-6+
Show/Hide
|
||||||||||||||||||
| InChIKey |
PFXYJAAQIIOGIT-WUXMJOGZSA-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 | |||||||||||||||||||
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