General Information of the Compound
| Compound ID |
CP0452019
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-(2-bromo-4-propan-2-ylphenyl)-N-(1,3-dimethoxypropan-2-yl)-N,5-dimethyltriazolo[4,5-d]pyrimidin-7-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H27BrN6O2
|
||||||||||||||||||
| Molecular Weight |
463.38
|
||||||||||||||||||
| Canonical SMILES |
COCC(COC)N(C)c1nc(C)nc2n(nnc12)-c1ccc(cc1Br)C(C)C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H27BrN6O2/c1-12(2)14-7-8-17(16(21)9-14)27-20-18(24-25-27)19(22-13(3)23-20)26(4)15(10-28-5)11-29-6/h7-9,12,15H,10-11H2,1-6H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
TVYYVEZCJNMDTF-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