General Information of the Compound
| Compound ID |
CP0453380
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(Thiophene-2-carbonyl)-(3-trifluoromethyl-phenyl)-thiocarbamic acid O-[2-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-ethyl] ester
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H15F3N2O4S2
|
||||||||||||||||||
| Molecular Weight |
504.511
|
||||||||||||||||||
| Canonical SMILES |
FC(F)(F)c1cccc(c1)N(C(=S)OCCN1C(=O)c2ccccc2C1=O)C(=O)c1cccs1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H15F3N2O4S2/c24-23(25,26)14-5-3-6-15(13-14)28(21(31)18-9-4-12-34-18)22(33)32-11-10-27-19(29)16-7-1-2-8-17(16)20(27)30/h1-9,12-13H,10-11H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
INRJJIXXFTVMSQ-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