General Information of the Compound
| Compound ID |
CP0472202
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
Sm14
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C14H14N2O3S
|
||||||||||||||||||
| Molecular Weight |
290.344
|
||||||||||||||||||
| Canonical SMILES |
Oc1ccc(\C=C2\SC(=NC2=O)N2CCCC2)c(O)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C14H14N2O3S/c17-10-4-3-9(11(18)8-10)7-12-13(19)15-14(20-12)16-5-1-2-6-16/h3-4,7-8,17-18H,1-2,5-6H2/b12-7+
Show/Hide
|
||||||||||||||||||
| InChIKey |
GZYBOZPAFOMTQK-KPKJPENVSA-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