General Information of the Compound
| Compound ID |
CP0513476
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[[(2S)-1-hydroxy-3-(4-phenylmethoxyphenyl)propan-2-yl]-methylamino]acetic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H23NO4
|
||||||||||||||||||
| Molecular Weight |
329.396
|
||||||||||||||||||
| Canonical SMILES |
CN(CC(O)=O)[C@H](CO)Cc1ccc(OCc2ccccc2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H23NO4/c1-20(12-19(22)23)17(13-21)11-15-7-9-18(10-8-15)24-14-16-5-3-2-4-6-16/h2-10,17,21H,11-14H2,1H3,(H,22,23)/t17-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
FCCDAKUYZOQSJS-KRWDZBQOSA-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
Protein ID: PT00918, Amine oxidase [flavin-containing] A
Protein ID: PT01362, Amine oxidase [flavin-containing] B