General Information of the Compound
| Compound ID |
CP0282691
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
8-hydroxy-5-[(1R)-1-hydroxy-2-[2-[3-[(2-pyridin-2-ylethylamino)methyl]phenyl]ethylamino]ethyl]-1H-quinolin-2-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H30N4O3
|
||||||||||||||||||
| Molecular Weight |
458.562
|
||||||||||||||||||
| Canonical SMILES |
O[C@@H](CNCCc1cccc(CNCCc2ccccn2)c1)c1ccc(O)c2[nH]c(=O)ccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H30N4O3/c32-24-9-7-22(23-8-10-26(34)31-27(23)24)25(33)18-29-14-11-19-4-3-5-20(16-19)17-28-15-12-21-6-1-2-13-30-21/h1-10,13,16,25,28-29,32-33H,11-12,14-15,17-18H2,(H,31,34)/t25-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
VUIMNDBYTPAGQZ-VWLOTQADSA-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