General Information of the Compound
| Compound ID |
CP0190119
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9464076, 87
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H23N2O7PS
|
||||||||||||||||||
| Molecular Weight |
514.496
|
||||||||||||||||||
| Canonical SMILES |
COCc1ccc(C(C)=O)c2sc(C(=O)Nc3ccc4c(COP(O)(O)=O)cccc4n3)c(C)c12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H23N2O7PS/c1-13-21-16(11-32-3)7-8-17(14(2)27)23(21)35-22(13)24(28)26-20-10-9-18-15(12-33-34(29,30)31)5-4-6-19(18)25-20/h4-10H,11-12H2,1-3H3,(H,25,26,28)(H2,29,30,31)
Show/Hide
|
||||||||||||||||||
| InChIKey |
HDOJHWCHMGXMLH-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