General Information of the Compound
Compound ID
CP0526218
Compound Name
(Z)-6-Methyl-1-((5-phenylthiophen-2-yl)methylene)furo[3,4-c]pyridine-3,4(1H,5H)-dione
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Structure
Formula
C19H13NO3S
Molecular Weight
335.384
Canonical SMILES
Cc1cc2\C(OC(=O)c2c(=O)[nH]1)=C\c1ccc(s1)-c1ccccc1
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InChI
InChI=1S/C19H13NO3S/c1-11-9-14-15(23-19(22)17(14)18(21)20-11)10-13-7-8-16(24-13)12-5-3-2-4-6-12/h2-10H,1H3,(H,20,21)/b15-10-
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InChIKey
ZZPIFVRNMOTOFS-GDNBJRDFSA-N
Physicochemical Property
logP
4.08032
Rotatable Bonds
2
Heavy Atom Count
24
Polar Areas
59.16
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
24

"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: 25155326
SID: 57249319
ChEMBL ID
CHEMBL515536
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 = 5000 nM
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