General Information of the Compound
| Compound ID |
CP0538328
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[3-cyclopentylsulfanyl-5-[(4-methoxyphenoxy)methyl]-1,2,4-triazol-4-yl]pyridine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H22N4O2S
|
||||||||||||||||||
| Molecular Weight |
382.489
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H22N4O2S/c1-25-16-8-10-17(11-9-16)26-14-19-22-23-20(27-18-6-2-3-7-18)24(19)15-5-4-12-21-13-15/h4-5,8-13,18H,2-3,6-7,14H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
BZLVZBXMHHEQOF-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