General Information of the Compound
| Compound ID |
CP0549162
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8912224, 176
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H27N3O4S
|
||||||||||||||||||
| Molecular Weight |
489.597
|
||||||||||||||||||
| Canonical SMILES |
Cc1noc(C)c1CCNC(=O)c1cnc(Oc2ccc3OC(CCc3c2)c2ccccc2C)s1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H27N3O4S/c1-16-6-4-5-7-21(16)24-10-8-19-14-20(9-11-23(19)33-24)32-27-29-15-25(35-27)26(31)28-13-12-22-17(2)30-34-18(22)3/h4-7,9,11,14-15,24H,8,10,12-13H2,1-3H3,(H,28,31)
Show/Hide
|
||||||||||||||||||
| InChIKey |
FXFZOXSNBCHCEO-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