General Information of the Compound
| Compound ID |
CP0520317
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8912224, 265
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H22N4O3S
|
||||||||||||||||||
| Molecular Weight |
422.51
|
||||||||||||||||||
| Canonical SMILES |
NC1CC(C1)NC(=O)c1cnc(Oc2ccc3OC(CCc3c2)c2cccnc2)s1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H22N4O3S/c23-15-9-16(10-15)26-21(27)20-12-25-22(30-20)28-17-4-6-18-13(8-17)3-5-19(29-18)14-2-1-7-24-11-14/h1-2,4,6-8,11-12,15-16,19H,3,5,9-10,23H2,(H,26,27)
Show/Hide
|
||||||||||||||||||
| InChIKey |
FSKLDOKFSNGRQM-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