General Information of the Compound
| Compound ID |
CP0452510
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(dicyclopropylmethyl)-9-[4-(difluoromethoxy)phenyl]-2,8-dimethylpurin-6-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H23F2N5O
|
||||||||||||||||||
| Molecular Weight |
399.445
|
||||||||||||||||||
| Canonical SMILES |
Cc1nc2c(NC(C3CC3)C3CC3)nc(C)nc2n1-c1ccc(OC(F)F)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H23F2N5O/c1-11-24-19(27-17(13-3-4-13)14-5-6-14)18-20(25-11)28(12(2)26-18)15-7-9-16(10-8-15)29-21(22)23/h7-10,13-14,17,21H,3-6H2,1-2H3,(H,24,25,27)
Show/Hide
|
||||||||||||||||||
| InChIKey |
LUSYJWLAUDXJHL-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