General Information of the Compound
Compound ID
CP0462883
Compound Name
3-[acetyl(methyl)amino]-N-(diaminomethylidene)-5-(2,5-dichlorophenyl)furan-2-carboxamide
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Structure
Formula
C15H14Cl2N4O3
Molecular Weight
369.208
Canonical SMILES
CN(C(C)=O)c1cc(oc1C(=O)NC(N)=N)-c1cc(Cl)ccc1Cl
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InChI
InChI=1S/C15H14Cl2N4O3/c1-7(22)21(2)11-6-12(9-5-8(16)3-4-10(9)17)24-13(11)14(23)20-15(18)19/h3-6H,1-2H3,(H4,18,19,20,23)
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InChIKey
SIANDLWYWQYUIX-UHFFFAOYSA-N
Physicochemical Property
logP
2.85937
Rotatable Bonds
3
Heavy Atom Count
24
Polar Areas
112.42
Hydrogen Bond Donor Count
3
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: 44432234
ChEMBL ID
CHEMBL232179
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: PT03805, Sodium/hydrogen exchanger 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000548 PS120 Cricetulus griseus (Chinese hamster)  1
1
IC50 > 30000 nM
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