General Information of the Compound
| Compound ID |
CP0395661
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(2,3-dihydroxypropyl)-5-[5-[(E)-(5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]thiophen-2-yl]-3H-isoindol-1-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H17N3O4S2
|
||||||||||||||||||
| Molecular Weight |
415.496
|
||||||||||||||||||
| Canonical SMILES |
OCC(O)CN1Cc2cc(ccc2C1=O)-c1ccc(\C=C2\NC(=S)NC2=O)s1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H17N3O4S2/c23-9-12(24)8-22-7-11-5-10(1-3-14(11)18(22)26)16-4-2-13(28-16)6-15-17(25)21-19(27)20-15/h1-6,12,23-24H,7-9H2,(H2,20,21,25,27)/b15-6+
Show/Hide
|
||||||||||||||||||
| InChIKey |
KARLBBDKXBQKDM-GIDUJCDVSA-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