General Information of the Compound
| Compound ID |
CP0564208
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(3S,4S)-8-[3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H22Cl2N6O
|
||||||||||||||||||
| Molecular Weight |
433.343
|
||||||||||||||||||
| Canonical SMILES |
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)-c2cccc(Cl)c2Cl)[C@@H]1N
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H22Cl2N6O/c1-11-18(23)20(10-29-11)5-7-28(8-6-20)14-9-24-17-16(26-27-19(17)25-14)12-3-2-4-13(21)15(12)22/h2-4,9,11,18H,5-8,10,23H2,1H3,(H,25,26,27)/t11-,18+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
HNONCNSCKGVMAR-BBATYDOGSA-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