General Information of the Compound
| Compound ID |
CP0056227
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(3-methylphenyl) 6-[4-[[8-(hydroxyamino)-8-oxooctanoyl]amino]phenyl]-5-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C33H36N2O8S
|
||||||||||||||||||
| Molecular Weight |
620.724
|
||||||||||||||||||
| Canonical SMILES |
Cc1cccc(OS(=O)(=O)C2CC3OC2C(=C3c2ccc(O)cc2)c2ccc(NC(=O)CCCCCCC(=O)NO)cc2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C33H36N2O8S/c1-21-7-6-8-26(19-21)43-44(40,41)28-20-27-31(22-13-17-25(36)18-14-22)32(33(28)42-27)23-11-15-24(16-12-23)34-29(37)9-4-2-3-5-10-30(38)35-39/h6-8,11-19,27-28,33,36,39H,2-5,9-10,20H2,1H3,(H,34,37)(H,35,38)
Show/Hide
|
||||||||||||||||||
| InChIKey |
YOCBJVZWBKOHSG-UHFFFAOYSA-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