General Information of the Compound
| Compound ID |
CP0445530
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
8-chloro-3-(cyclopropylmethyl)-7-(4-phenylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]pyridine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H22ClN5
|
||||||||||||||||||
| Molecular Weight |
367.884
|
||||||||||||||||||
| Canonical SMILES |
Clc1c(ccn2c(CC3CC3)nnc12)N1CCN(CC1)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H22ClN5/c21-19-17(8-9-26-18(14-15-6-7-15)22-23-20(19)26)25-12-10-24(11-13-25)16-4-2-1-3-5-16/h1-5,8-9,15H,6-7,10-14H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
FZNYXOKZKWFUEV-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