General Information of the Compound
Compound ID
CP0444700
Compound Name
3-acetamido-5-(5-chloro-2-methoxyphenyl)-N-(diaminomethylene)furan-2-carboxamide
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Structure
Formula
C15H15ClN4O4
Molecular Weight
350.762
Canonical SMILES
COc1ccc(Cl)cc1-c1cc(NC(C)=O)c(o1)C(=O)NC(N)=N
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InChI
InChI=1S/C15H15ClN4O4/c1-7(21)19-10-6-12(24-13(10)14(22)20-15(17)18)9-5-8(16)3-4-11(9)23-2/h3-6H,1-2H3,(H,19,21)(H4,17,18,20,22)
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InChIKey
RJVMXJNIDHKNDY-UHFFFAOYSA-N
Physicochemical Property
logP
2.19027
Rotatable Bonds
4
Heavy Atom Count
24
Polar Areas
130.44
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
5
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: 44432231
ChEMBL ID
CHEMBL233354
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 = 4500 nM
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