General Information of the Compound
| Compound ID |
CP0518074
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-heptan-4-yl-5-methyl-3-(2,4,6-trimethylphenyl)triazolo[4,5-d]pyrimidin-7-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H30N6
|
||||||||||||||||||
| Molecular Weight |
366.513
|
||||||||||||||||||
| Canonical SMILES |
CCCC(CCC)Nc1nc(C)nc2n(nnc12)-c1c(C)cc(C)cc1C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H30N6/c1-7-9-17(10-8-2)24-20-18-21(23-16(6)22-20)27(26-25-18)19-14(4)11-13(3)12-15(19)5/h11-12,17H,7-10H2,1-6H3,(H,22,23,24)
Show/Hide
|
||||||||||||||||||
| InChIKey |
MGRCDMXDKKALGC-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