General Information of the Compound
| Compound ID |
CP0573454
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(4,5-dichlorothiophen-2-yl)sulfonyl-3-[(2Z)-2-fluoro-2-[1-[4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-indazol-7-ylidene]ethyl]urea
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H16Cl2F4N4O3S2
|
||||||||||||||||||
| Molecular Weight |
583.416
|
||||||||||||||||||
| Canonical SMILES |
F\C(CNC(=O)NS(=O)(=O)c1cc(Cl)c(Cl)s1)=C1\CCCc2cnn(c12)-c1ccc(cc1)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H16Cl2F4N4O3S2/c22-15-8-17(35-19(15)23)36(33,34)30-20(32)28-10-16(24)14-3-1-2-11-9-29-31(18(11)14)13-6-4-12(5-7-13)21(25,26)27/h4-9H,1-3,10H2,(H2,28,30,32)/b16-14-
Show/Hide
|
||||||||||||||||||
| InChIKey |
VAEWFQCITXBDBC-PEZBUJJGSA-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