General Information of the Compound
| Compound ID |
CP0287698
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(4-((1H-1,2,4-Triazol-1-yl)methyl)-5-(4-bromophenyl)-1-(2-chlorophenyl)-1H-pyrazol-3-yl)-5-(1-(trifluoromethyl)-cyclobutyl)-1,3,4-thiadiazole
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H18BrClF3N7S
|
||||||||||||||||||
| Molecular Weight |
620.886
|
||||||||||||||||||
| Canonical SMILES |
FC(F)(F)C1(CCC1)c1nnc(s1)-c1nn(c(c1Cn1cncn1)-c1ccc(Br)cc1)-c1ccccc1Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H18BrClF3N7S/c26-16-8-6-15(7-9-16)21-17(12-36-14-31-13-32-36)20(35-37(21)19-5-2-1-4-18(19)27)22-33-34-23(38-22)24(10-3-11-24)25(28,29)30/h1-2,4-9,13-14H,3,10-12H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
SFTBPHUNHQDXPU-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