General Information of the Compound
| Compound ID |
CP0544107
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8912224, 223
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H28N2O5S
|
||||||||||||||||||
| Molecular Weight |
492.597
|
||||||||||||||||||
| Canonical SMILES |
COC(=O)[C@@H]1CC(C)(C)CN1C(=O)c1cnc(Oc2ccc3O[C@@H](CCc3c2)c2ccccc2)s1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H28N2O5S/c1-27(2)14-20(25(31)32-3)29(16-27)24(30)23-15-28-26(35-23)33-19-10-12-22-18(13-19)9-11-21(34-22)17-7-5-4-6-8-17/h4-8,10,12-13,15,20-21H,9,11,14,16H2,1-3H3/t20-,21-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
AJNCDUGDKCNQJR-SFTDATJTSA-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