General Information of the Compound
Compound ID
CP0394716
Compound Name
5-(5-chloro-2-methoxyphenyl)-N-(diaminomethylene)-3-phenylfuran-2-carboxamide
    Show/Hide
Structure
Formula
C19H16ClN3O3
Molecular Weight
369.808
Canonical SMILES
COc1ccc(Cl)cc1-c1cc(c(o1)C(=O)NC(N)=N)-c1ccccc1
    Show/Hide
InChI
InChI=1S/C19H16ClN3O3/c1-25-15-8-7-12(20)9-14(15)16-10-13(11-5-3-2-4-6-11)17(26-16)18(24)23-19(21)22/h2-10H,1H3,(H4,21,22,23,24)
    Show/Hide
InChIKey
HTGDIIRXSLGZJD-UHFFFAOYSA-N
Physicochemical Property
logP
3.89887
Rotatable Bonds
4
Heavy Atom Count
26
Polar Areas
101.34
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
4
Complexity
26

"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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 44432247
ChEMBL ID
CHEMBL232976
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 = 5600 nM
   TI
   LI
   LO
   TS