General Information of the Compound
| Compound ID |
CP0442785
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9192603, 59
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H16ClN3O3S2
|
||||||||||||||||||
| Molecular Weight |
421.931
|
||||||||||||||||||
| Canonical SMILES |
CC(c1ccccc1Cl)S(=O)(=O)c1sc(NC(=O)c2ccccn2)nc1C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H16ClN3O3S2/c1-11-17(27(24,25)12(2)13-7-3-4-8-14(13)19)26-18(21-11)22-16(23)15-9-5-6-10-20-15/h3-10,12H,1-2H3,(H,21,22,23)
Show/Hide
|
||||||||||||||||||
| InChIKey |
TZNABLTWXNAXSI-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