General Information of the Compound
Compound ID
CP0526217
Compound Name
(Z)-6-Methyl-1-((5-methylfuran-2-yl)methylene)furo[3,4-c]pyridine-3,4(1H,5H)-dione
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Structure
Formula
C14H11NO4
Molecular Weight
257.245
Canonical SMILES
Cc1ccc(\C=C2/OC(=O)c3c2cc(C)[nH]c3=O)o1
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InChI
InChI=1S/C14H11NO4/c1-7-5-10-11(6-9-4-3-8(2)18-9)19-14(17)12(10)13(16)15-7/h3-6H,1-2H3,(H,15,16)/b11-6-
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InChIKey
GHTQUYIUIUSMIN-WDZFZDKYSA-N
Physicochemical Property
logP
2.25324
Rotatable Bonds
1
Heavy Atom Count
19
Polar Areas
72.3
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
19

"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: 684189
ChEMBL ID
CHEMBL464806
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: PT05158, Perforin-1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000001 Jurkat Homo sapiens (Human)  1
1
IC50 > 20000 nM
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