General Information of the Compound
| Compound ID |
CP0390726
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[(3aS,6aR)-2-(3-fluoropyridin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(1-adamantyl)methanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H28FN3O
|
||||||||||||||||||
| Molecular Weight |
369.484
|
||||||||||||||||||
| Canonical SMILES |
Fc1cccnc1N1C[C@@H]2CN(C[C@@H]2C1)C(=O)C12CC3CC(CC(C3)C1)C2
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H28FN3O/c23-19-2-1-3-24-20(19)25-10-17-12-26(13-18(17)11-25)21(27)22-7-14-4-15(8-22)6-16(5-14)9-22/h1-3,14-18H,4-13H2/t14?,15?,16?,17-,18+,22?
Show/Hide
|
||||||||||||||||||
| InChIKey |
GVOJLIRYQUJFTH-GLPCNKFJSA-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