General Information of the Compound
| Compound ID |
CP0379907
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-methyl-5-[5-[(E)-(5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]thiophen-2-yl]-3H-isoindol-1-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H13N3O2S2
|
||||||||||||||||||
| Molecular Weight |
355.444
|
||||||||||||||||||
| Canonical SMILES |
CN1Cc2cc(ccc2C1=O)-c1ccc(\C=C2\NC(=S)NC2=O)s1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H13N3O2S2/c1-20-8-10-6-9(2-4-12(10)16(20)22)14-5-3-11(24-14)7-13-15(21)19-17(23)18-13/h2-7H,8H2,1H3,(H2,18,19,21,23)/b13-7+
Show/Hide
|
||||||||||||||||||
| InChIKey |
JFMISICGCNHPMU-NTUHNPAUSA-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