General Information of the Compound
| Compound ID |
CP0014712
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[(3S)-3-[[9-methyl-8-(6-methylpyridin-3-yl)purin-6-yl]amino]pyrrolidin-1-yl]propan-1-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H23N7O
|
||||||||||||||||||
| Molecular Weight |
365.441
|
||||||||||||||||||
| Canonical SMILES |
CCC(=O)N1CC[C@@H](C1)Nc1ncnc2n(C)c(nc12)-c1ccc(C)nc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H23N7O/c1-4-15(27)26-8-7-14(10-26)23-17-16-19(22-11-21-17)25(3)18(24-16)13-6-5-12(2)20-9-13/h5-6,9,11,14H,4,7-8,10H2,1-3H3,(H,21,22,23)/t14-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
XDEGVBQMIAIWOQ-AWEZNQCLSA-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