General Information of the Compound
| Compound ID |
CP0110656
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[6-[(3R)-3-aminopyrrolidin-1-yl]pyridin-3-yl]-4-phenylmethoxypyridin-2-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H22N4O2
|
||||||||||||||||||
| Molecular Weight |
362.433
|
||||||||||||||||||
| Canonical SMILES |
N[C@@H]1CCN(C1)c1ccc(cn1)-n1ccc(OCc2ccccc2)cc1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H22N4O2/c22-17-8-10-24(14-17)20-7-6-18(13-23-20)25-11-9-19(12-21(25)26)27-15-16-4-2-1-3-5-16/h1-7,9,11-13,17H,8,10,14-15,22H2/t17-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
FKBVLHJCVFCOSQ-QGZVFWFLSA-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