General Information of the Compound
| Compound ID |
CP0491546
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(3S)-3-[4-[[(3S)-6-methoxy-2,3-dihydro-1,4-benzodioxin-3-yl]methoxy]phenyl]hex-4-ynoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H22O6
|
||||||||||||||||||
| Molecular Weight |
382.412
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc2OC[C@H](COc3ccc(cc3)[C@H](CC(O)=O)C#CC)Oc2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H22O6/c1-3-4-16(11-22(23)24)15-5-7-17(8-6-15)26-13-19-14-27-20-10-9-18(25-2)12-21(20)28-19/h5-10,12,16,19H,11,13-14H2,1-2H3,(H,23,24)/t16-,19-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
TYWQDAQEGRZONW-LPHOPBHVSA-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