General Information of the Compound
Compound ID |
CP0443032
|
||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Compound Name |
US8912224, 220
Show/Hide
|
||||||||||||||||||
Structure |
|
||||||||||||||||||
Formula |
C26H28N2O5S
|
||||||||||||||||||
Molecular Weight |
480.586
|
||||||||||||||||||
Canonical SMILES |
COC(=O)[C@@H](NC(=O)c1cnc(Oc2ccc3O[C@@H](CCc3c2)c2ccccc2)s1)C(C)(C)C
Show/Hide
|
||||||||||||||||||
InChI |
InChI=1S/C26H28N2O5S/c1-26(2,3)22(24(30)31-4)28-23(29)21-15-27-25(34-21)32-18-11-13-20-17(14-18)10-12-19(33-20)16-8-6-5-7-9-16/h5-9,11,13-15,19,22H,10,12H2,1-4H3,(H,28,29)/t19-,22+/m0/s1
Show/Hide
|
||||||||||||||||||
InChIKey |
GBEVOOIEOFDEAP-SIKLNZKXSA-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