General Information of the Compound
| Compound ID |
CP0534682
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(1-methylcyclobutyl) 2-[(1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonylamino)methyl]-6-azaspiro[2.5]octane-6-carboxylate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H30N4O3
|
||||||||||||||||||
| Molecular Weight |
398.507
|
||||||||||||||||||
| Canonical SMILES |
CC1(CCC1)OC(=O)N1CCC2(CC2CNC(=O)N2Cc3ccncc3C2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H30N4O3/c1-21(4-2-5-21)29-20(28)25-9-6-22(7-10-25)11-18(22)13-24-19(27)26-14-16-3-8-23-12-17(16)15-26/h3,8,12,18H,2,4-7,9-11,13-15H2,1H3,(H,24,27)
Show/Hide
|
||||||||||||||||||
| InChIKey |
JXAXUBCGFYHKMH-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