General Information of the Compound
Compound ID
CP0505401
Compound Name
N-(diaminomethylidene)-3-(dimethylamino)-5-phenylfuran-2-carboxamide
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Structure
Formula
C14H16N4O2
Molecular Weight
272.308
Canonical SMILES
CN(C)c1cc(oc1C(=O)NC(N)=N)-c1ccccc1
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InChI
InChI=1S/C14H16N4O2/c1-18(2)10-8-11(9-6-4-3-5-7-9)20-12(10)13(19)17-14(15)16/h3-8H,1-2H3,(H4,15,16,17,19)
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InChIKey
WITGXRVNEOLCPH-UHFFFAOYSA-N
Physicochemical Property
logP
1.63587
Rotatable Bonds
3
Heavy Atom Count
20
Polar Areas
95.35
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
4
Complexity
20

"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: 44432224
ChEMBL ID
CHEMBL395667
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 = 120 nM
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