General Information of the Compound
| Compound ID |
CP0468221
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8912224, 84
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H21N3O4S
|
||||||||||||||||||
| Molecular Weight |
447.516
|
||||||||||||||||||
| Canonical SMILES |
Cc1cc(on1)C(=O)NCc1cnc(Oc2ccc3OC(CCc3c2)c2ccccc2)s1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H21N3O4S/c1-15-11-22(31-27-15)23(28)25-13-19-14-26-24(32-19)29-18-8-10-21-17(12-18)7-9-20(30-21)16-5-3-2-4-6-16/h2-6,8,10-12,14,20H,7,9,13H2,1H3,(H,25,28)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZOESFHPTHSURMY-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