General Information of the Compound
| Compound ID |
CP0403025
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US10047103, 222
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H20N4O4S
|
||||||||||||||||||
| Molecular Weight |
484.537
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(OCc2csc(n2)-c2cccc(O)c2)c2cc(oc2c1)-c1cn2nc(C)ccc2n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H20N4O4S/c1-15-6-7-25-28-21(12-30(25)29-15)24-11-20-22(9-19(32-2)10-23(20)34-24)33-13-17-14-35-26(27-17)16-4-3-5-18(31)8-16/h3-12,14,31H,13H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
MXJXONCZSLGNFG-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