General Information of the Compound
| Compound ID |
CP0284397
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[4-[[(2S)-2-[[(2R)-2-hydroxy-2-[4-hydroxy-3-(methanesulfonamido)phenyl]ethyl]amino]-2-(4-methoxyphenyl)propanoyl]amino]phenoxy]acetic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H31N3O9S
|
||||||||||||||||||
| Molecular Weight |
573.624
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(cc1)[C@](C)(NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1)C(=O)Nc1ccc(OCC(O)=O)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H31N3O9S/c1-27(18-5-9-20(38-2)10-6-18,26(35)29-19-7-11-21(12-8-19)39-16-25(33)34)28-15-24(32)17-4-13-23(31)22(14-17)30-40(3,36)37/h4-14,24,28,30-32H,15-16H2,1-3H3,(H,29,35)(H,33,34)/t24-,27-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
YCBVIUUCNAGJPI-IGKIAQTJSA-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