General Information of the Compound
| Compound ID |
CP0172034
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8614253, 38-1
Show/Hide
|
||||||||||||||||||
| Formula |
C20H22Br2N2O4S2
|
||||||||||||||||||
| Molecular Weight |
578.348
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(Br)cc(\C=N\CCSSCC\N=C\c2cc(Br)cc(OC)c2O)c1O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H22Br2N2O4S2/c1-27-17-9-15(21)7-13(19(17)25)11-23-3-5-29-30-6-4-24-12-14-8-16(22)10-18(28-2)20(14)26/h7-12,25-26H,3-6H2,1-2H3/b23-11+,24-12+
Show/Hide
|
||||||||||||||||||
| InChIKey |
HPQUXXASEDJCLW-ASIDMNOUSA-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 | |||||||||||||||||||
| 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