General Information of the Compound
Compound ID
CP0493463
Compound Name
(Z)-6-Methyl-1-((1-methyl-1H-indol-3-yl)methylene)furo[3,4-c]pyridine-3,4(1H,5H)-dione
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Structure
Formula
C18H14N2O3
Molecular Weight
306.321
Canonical SMILES
Cc1cc2\C(OC(=O)c2c(=O)[nH]1)=C\c1cn(C)c2ccccc12
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InChI
InChI=1S/C18H14N2O3/c1-10-7-13-15(23-18(22)16(13)17(21)19-10)8-11-9-20(2)14-6-4-3-5-12(11)14/h3-9H,1-2H3,(H,19,21)/b15-8-
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InChIKey
KTMVUPCKVKBOOI-NVNXTCNLSA-N
Physicochemical Property
logP
2.84352
Rotatable Bonds
1
Heavy Atom Count
23
Polar Areas
64.09
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
23

"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: 25156137
SID: 57250165
ChEMBL ID
CHEMBL515855
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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