General Information of the Compound
| Compound ID |
CP0455505
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-N-(2-chloro-4-methoxyphenyl)-5-N-ethyl-7-N,7-N-dipropylpyrazolo[1,5-a]pyrimidine-5,7-diamine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H28ClN5O
|
||||||||||||||||||
| Molecular Weight |
401.942
|
||||||||||||||||||
| Canonical SMILES |
CCCN(CCC)c1cc(nc2ccnn12)N(CC)c1ccc(OC)cc1Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H28ClN5O/c1-5-12-25(13-6-2)21-15-20(24-19-10-11-23-27(19)21)26(7-3)18-9-8-16(28-4)14-17(18)22/h8-11,14-15H,5-7,12-13H2,1-4H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
MLIOXGQBPYIGQL-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