General Information of the Compound
| Compound ID |
CP0412126
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9012443, 27
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H14ClN5O2S2
|
||||||||||||||||||
| Molecular Weight |
467.963
|
||||||||||||||||||
| Canonical SMILES |
Clc1ccc(c(c1)-c1cn[nH]c1)-c1cccc2cc(ccc12)S(=O)(=O)Nc1ncns1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H14ClN5O2S2/c22-15-4-6-19(20(9-15)14-10-24-25-11-14)18-3-1-2-13-8-16(5-7-17(13)18)31(28,29)27-21-23-12-26-30-21/h1-12H,(H,24,25)(H,23,26,27)
Show/Hide
|
||||||||||||||||||
| InChIKey |
FIUXOLTZOKZTOV-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