General Information of the Compound
| Compound ID |
CP0398578
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-chloro-N-[1-[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-2-phenylethyl]benzenesulfonamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H16ClF3N4O2S
|
||||||||||||||||||
| Molecular Weight |
444.866
|
||||||||||||||||||
| Canonical SMILES |
Cn1c(nnc1C(F)(F)F)C(Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H16ClF3N4O2S/c1-26-16(23-24-17(26)18(20,21)22)15(11-12-5-3-2-4-6-12)25-29(27,28)14-9-7-13(19)8-10-14/h2-10,15,25H,11H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
ISORFTZHUCBFJY-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