General Information of the Compound
| Compound ID |
CP0530209
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[[(2R)-4-[(3,5-difluorophenyl)methyl]morpholin-2-yl]methyl]-5-methyltriazolo[4,5-d]pyrimidin-7-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H19F2N7O
|
||||||||||||||||||
| Molecular Weight |
375.383
|
||||||||||||||||||
| Canonical SMILES |
Cc1nc(N)c2nnn(C[C@H]3CN(Cc4cc(F)cc(F)c4)CCO3)c2n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H19F2N7O/c1-10-21-16(20)15-17(22-10)26(24-23-15)9-14-8-25(2-3-27-14)7-11-4-12(18)6-13(19)5-11/h4-6,14H,2-3,7-9H2,1H3,(H2,20,21,22)/t14-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
MZLRUPUOLSDYGB-CQSZACIVSA-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