General Information of the Compound
| Compound ID |
CP0848465
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(S)-1-(3-(3,4-dihydroisoquinolin-2(1H)-yl)-2-hydroxypropyl)-4-phenylpyridin-2(1H)-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H24N2O2
|
||||||||||||||||||
| Molecular Weight |
360.457
|
||||||||||||||||||
| Canonical SMILES |
O=c1cc(-c2ccccc2)ccn1C[C@@H](O)CN1CCc2ccccc2C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H24N2O2/c26-22(16-24-12-10-19-8-4-5-9-21(19)15-24)17-25-13-11-20(14-23(25)27)18-6-2-1-3-7-18/h1-9,11,13-14,22,26H,10,12,15-17H2/t22-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
VNPIYIUOLQVDOR-QFIPXVFZSA-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