General Information of the Compound
| Compound ID |
CP0419230
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9187437, 40
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H19ClN2O2S
|
||||||||||||||||||
| Molecular Weight |
374.893
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccsc1-c1noc(COCC2(CCC2)c2ccc(Cl)cc2)n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H19ClN2O2S/c1-13-7-10-25-17(13)18-21-16(24-22-18)11-23-12-19(8-2-9-19)14-3-5-15(20)6-4-14/h3-7,10H,2,8-9,11-12H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
QCBLDAAFEGSEGP-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