General Information of the Compound
| Compound ID |
CP0473778
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[methyl-[(2S)-1-phenylmethoxy-3-(4-phenylmethoxyphenyl)propan-2-yl]amino]acetic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H29NO4
|
||||||||||||||||||
| Molecular Weight |
419.521
|
||||||||||||||||||
| Canonical SMILES |
CN(CC(O)=O)[C@H](COCc1ccccc1)Cc1ccc(OCc2ccccc2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H29NO4/c1-27(17-26(28)29)24(20-30-18-22-8-4-2-5-9-22)16-21-12-14-25(15-13-21)31-19-23-10-6-3-7-11-23/h2-15,24H,16-20H2,1H3,(H,28,29)/t24-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
NWAJJAAREYCLNI-DEOSSOPVSA-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