General Information of the Compound
| Compound ID |
CP0415747
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[(4-chlorophenyl)methyl]-5-cyclopropyltriazolo[4,5-d]pyrimidin-7-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C14H13ClN6
|
||||||||||||||||||
| Molecular Weight |
300.753
|
||||||||||||||||||
| Canonical SMILES |
Nc1nc(nc2n(Cc3ccc(Cl)cc3)nnc12)C1CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C14H13ClN6/c15-10-5-1-8(2-6-10)7-21-14-11(19-20-21)12(16)17-13(18-14)9-3-4-9/h1-2,5-6,9H,3-4,7H2,(H2,16,17,18)
Show/Hide
|
||||||||||||||||||
| InChIKey |
FYAMAQBSLUWKBS-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