General Information of the Compound
| Compound ID |
CP0853730
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(R)-6-(1-cyclobutyl-1H-1,2,4-triazol-5-yl)-7-(3,4-dichlorophenyl)-2,5-dimethyl-4,7-dihydropyrazolo[1,5-a]pyrimidine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H20Cl2N6
|
||||||||||||||||||
| Molecular Weight |
415.328
|
||||||||||||||||||
| Canonical SMILES |
CC1=C(c2ncnn2C2CCC2)[C@@H](c2ccc(Cl)c(Cl)c2)n2nc(C)cc2N1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H20Cl2N6/c1-11-8-17-25-12(2)18(20-23-10-24-27(20)14-4-3-5-14)19(28(17)26-11)13-6-7-15(21)16(22)9-13/h6-10,14,19,25H,3-5H2,1-2H3/t19-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
PFFJHPRIJUZLHG-LJQANCHMSA-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