General Information of the Compound
| Compound ID |
CP0074487
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
8-(4-dimethylphosphorylphenyl)-N-[3-(4-methylpiperazin-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H29N6OP
|
||||||||||||||||||
| Molecular Weight |
460.522
|
||||||||||||||||||
| Canonical SMILES |
CN1CCN(CC1)c1cccc(Nc2nc3c(cccn3n2)-c2ccc(cc2)P(C)(C)=O)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H29N6OP/c1-29-14-16-30(17-15-29)21-7-4-6-20(18-21)26-25-27-24-23(8-5-13-31(24)28-25)19-9-11-22(12-10-19)33(2,3)32/h4-13,18H,14-17H2,1-3H3,(H,26,28)
Show/Hide
|
||||||||||||||||||
| InChIKey |
NIPWBXDGHVSIOT-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