General Information of the Compound
| Compound ID |
CP0157144
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
6-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-(2,3-dichloropyridin-4-yl)-5-methyl-2H-pyrazolo[3,4-d]pyrimidin-4-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H23Cl2N7O2
|
||||||||||||||||||
| Molecular Weight |
464.357
|
||||||||||||||||||
| Canonical SMILES |
C[C@@H]1OCC2(CCN(CC2)c2nc3[nH]nc(-c4ccnc(Cl)c4Cl)c3c(=O)n2C)[C@@H]1N
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H23Cl2N7O2/c1-10-15(23)20(9-31-10)4-7-29(8-5-20)19-25-17-12(18(30)28(19)2)14(26-27-17)11-3-6-24-16(22)13(11)21/h3,6,10,15H,4-5,7-9,23H2,1-2H3,(H,26,27)/t10-,15+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
GYBKVXRCRCWQOF-ZUZCIYMTSA-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