General Information of the Compound
| Compound ID |
CP0549978
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9192603, 18
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C16H11Cl2N3OS2
|
||||||||||||||||||
| Molecular Weight |
396.324
|
||||||||||||||||||
| Canonical SMILES |
Clc1ccc(CSc2cnc(NC(=O)c3ccccn3)s2)c(Cl)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H11Cl2N3OS2/c17-11-5-4-10(12(18)7-11)9-23-14-8-20-16(24-14)21-15(22)13-3-1-2-6-19-13/h1-8H,9H2,(H,20,21,22)
Show/Hide
|
||||||||||||||||||
| InChIKey |
YAKXWMXLLHEKNW-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