General Information of the Compound
| Compound ID |
CP0401660
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(16-Chloro-17,19-dihydroxy-4-methyl-2-oxo-3,7-dioxa-tricyclo[13.4.0.0*6,8*]nonadeca-1(19),9,11,15,17-pentaen-13-ylideneaminooxy)-N-(2-hydroxy-ethyl)-acetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H25ClN2O8
|
||||||||||||||||||
| Molecular Weight |
480.901
|
||||||||||||||||||
| Canonical SMILES |
C[C@@H]1C[C@H]2O[C@@H]2\C=C/C=C/C(/Cc2c(Cl)c(O)cc(O)c2C(=O)O1)=N\OCC(=O)NCCO
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H25ClN2O8/c1-12-8-18-17(33-18)5-3-2-4-13(25-31-11-19(29)24-6-7-26)9-14-20(22(30)32-12)15(27)10-16(28)21(14)23/h2-5,10,12,17-18,26-28H,6-9,11H2,1H3,(H,24,29)/b4-2+,5-3-,25-13+/t12-,17-,18-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
MUMSVJJOELUQAZ-NYKRIZFTSA-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