General Information of the Compound
| Compound ID |
CP0507707
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8912224, 23
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H26N4O3S
|
||||||||||||||||||
| Molecular Weight |
474.586
|
||||||||||||||||||
| Canonical SMILES |
CC(NC(=O)c1cnc(Oc2ccc3OC(CCc3c2)c2ccccc2)s1)c1cn(C)nc1C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H26N4O3S/c1-16(21-15-30(3)29-17(21)2)28-25(31)24-14-27-26(34-24)32-20-10-12-23-19(13-20)9-11-22(33-23)18-7-5-4-6-8-18/h4-8,10,12-16,22H,9,11H2,1-3H3,(H,28,31)
Show/Hide
|
||||||||||||||||||
| InChIKey |
HSZIDYAJRGALCZ-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