General Information of the Compound
| Compound ID |
CP0544522
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8912224, 171
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H19N3O4S
|
||||||||||||||||||
| Molecular Weight |
433.489
|
||||||||||||||||||
| Canonical SMILES |
O=C(NCc1ccno1)c1cnc(Oc2ccc3O[C@@H](CCc3c2)c2ccccc2)s1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H19N3O4S/c27-22(24-13-18-10-11-26-30-18)21-14-25-23(31-21)28-17-7-9-20-16(12-17)6-8-19(29-20)15-4-2-1-3-5-15/h1-5,7,9-12,14,19H,6,8,13H2,(H,24,27)/t19-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
AYNXFEZIRGXXCK-IBGZPJMESA-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