General Information of the Compound
Compound ID
CP0460203
Compound Name
3-acetamido-N-(diaminomethylene)-5-phenylfuran-2-carboxamide
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Structure
Formula
C14H14N4O3
Molecular Weight
286.291
Canonical SMILES
CC(=O)Nc1cc(oc1C(=O)NC(N)=N)-c1ccccc1
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InChI
InChI=1S/C14H14N4O3/c1-8(19)17-10-7-11(9-5-3-2-4-6-9)21-12(10)13(20)18-14(15)16/h2-7H,1H3,(H,17,19)(H4,15,16,18,20)
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InChIKey
HYFCQUGITIVIQB-UHFFFAOYSA-N
Physicochemical Property
logP
1.52827
Rotatable Bonds
3
Heavy Atom Count
21
Polar Areas
121.21
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
4
Complexity
21

"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: 44432228
ChEMBL ID
CHEMBL233352
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 = 14000 nM
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