General Information of the Compound
| Compound ID |
CP0485312
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[(4-bromophenoxy)methyl]-5-cyclopentylsulfanyl-4-phenyl-1,2,4-triazole
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H20BrN3OS
|
||||||||||||||||||
| Molecular Weight |
430.371
|
||||||||||||||||||
| Canonical SMILES |
Brc1ccc(OCc2nnc(SC3CCCC3)n2-c2ccccc2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H20BrN3OS/c21-15-10-12-17(13-11-15)25-14-19-22-23-20(26-18-8-4-5-9-18)24(19)16-6-2-1-3-7-16/h1-3,6-7,10-13,18H,4-5,8-9,14H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
URYXHROEZHMALB-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