General Information of the Compound
| Compound ID |
CP0461793
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[8-chloro-3-(cyclopropylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-[(6-methoxypyridin-3-yl)methyl]aniline
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H22ClN5O
|
||||||||||||||||||
| Molecular Weight |
419.916
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(CNc2ccc(cc2)-c2ccn3c(CC4CC4)nnc3c2Cl)cn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H22ClN5O/c1-30-21-9-4-16(14-26-21)13-25-18-7-5-17(6-8-18)19-10-11-29-20(12-15-2-3-15)27-28-23(29)22(19)24/h4-11,14-15,25H,2-3,12-13H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
BFNKHJQEFAZUDE-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