General Information of the Compound
| Compound ID |
CP0405887
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[(1R)-1-hydroxy-2-[2-[4-[[(2S)-2-hydroxy-2-phenylethyl]amino]phenyl]ethylamino]ethyl]-2-(hydroxymethyl)phenol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H30N2O4
|
||||||||||||||||||
| Molecular Weight |
422.525
|
||||||||||||||||||
| Canonical SMILES |
OCc1cc(ccc1O)[C@@H](O)CNCCc1ccc(NC[C@@H](O)c2ccccc2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H30N2O4/c28-17-21-14-20(8-11-23(21)29)24(30)15-26-13-12-18-6-9-22(10-7-18)27-16-25(31)19-4-2-1-3-5-19/h1-11,14,24-31H,12-13,15-17H2/t24-,25+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
BQNVZSJNDSEQKD-LOSJGSFVSA-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