General Information of the Compound
Compound ID
CP0462390
Compound Name
(Z)-1-((1H-Pyrrol-2-yl)methylene)-6-methylfuro[3,4-c]pyridine-3,4(1H,5H)-dione
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Structure
Formula
C13H10N2O3
Molecular Weight
242.234
Canonical SMILES
Cc1cc2\C(OC(=O)c2c(=O)[nH]1)=C\c1ccc[nH]1
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InChI
InChI=1S/C13H10N2O3/c1-7-5-9-10(6-8-3-2-4-14-8)18-13(17)11(9)12(16)15-7/h2-6,14H,1H3,(H,15,16)/b10-6-
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InChIKey
SDRHLBFXRQVCNI-POHAHGRESA-N
Physicochemical Property
logP
1.67992
Rotatable Bonds
1
Heavy Atom Count
18
Polar Areas
74.95
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
18

"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: 25155327
SID: 57249320
ChEMBL ID
CHEMBL458935
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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   LI
   LO
   TS