General Information of the Compound
| Compound ID |
CP0578038
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(4,5-dichlorothiophen-2-yl)sulfonyl-3-[(2E)-2-[1-(4-methylsulfonylphenyl)-5,6-dihydro-4H-indazol-7-ylidene]ethyl]urea
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H20Cl2N4O5S3
|
||||||||||||||||||
| Molecular Weight |
575.521
|
||||||||||||||||||
| Canonical SMILES |
CS(=O)(=O)c1ccc(cc1)-n1ncc2CCC\C(=C/CNC(=O)NS(=O)(=O)c3cc(Cl)c(Cl)s3)c12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H20Cl2N4O5S3/c1-34(29,30)16-7-5-15(6-8-16)27-19-13(3-2-4-14(19)12-25-27)9-10-24-21(28)26-35(31,32)18-11-17(22)20(23)33-18/h5-9,11-12H,2-4,10H2,1H3,(H2,24,26,28)/b13-9+
Show/Hide
|
||||||||||||||||||
| InChIKey |
VTPAQTPYSJWCDM-UKTHLTGXSA-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