General Information of the Compound
Compound ID
CP0961411
Compound Name
(Z)-3-isopropyl-5-((5-methylfuran-2-yl)methylene)thiazolidine-2,4-dione
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Structure
Formula
C12H13NO3S
Molecular Weight
251.307
Canonical SMILES
Cc1ccc(/C=C2\SC(=O)N(C(C)C)C2=O)o1
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InChI
InChI=1S/C12H13NO3S/c1-7(2)13-11(14)10(17-12(13)15)6-9-5-4-8(3)16-9/h4-7H,1-3H3/b10-6-
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InChIKey
FJJNLDZNFJGJKV-POHAHGRESA-N
Physicochemical Property
logP
3.03272
Rotatable Bonds
2
Heavy Atom Count
17
Polar Areas
50.52
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
17

"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).

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PubChem ID
CID: 1279204
ChEMBL ID
CHEMBL4450894
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
Protein ID: PT04664, Myc proto-oncogene protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000025 HEK-293T Homo sapiens (Human)  1
1
IC50 > 100000 nM
   TI
   LI
   LO
   TS