General Information of the Compound
Compound ID
CP0395177
Compound Name
3-(3-(7-hydroxynaphthalen-1-yl)ureido)benzoic acid
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Structure
Formula
C18H14N2O4
Molecular Weight
322.32
Canonical SMILES
OC(=O)c1cccc(NC(=O)Nc2cccc3ccc(O)cc23)c1
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InChI
InChI=1S/C18H14N2O4/c21-14-8-7-11-3-2-6-16(15(11)10-14)20-18(24)19-13-5-1-4-12(9-13)17(22)23/h1-10,21H,(H,22,23)(H2,19,20,24)
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InChIKey
HESPAXPTHYPSLE-UHFFFAOYSA-N
Physicochemical Property
logP
3.8876
Rotatable Bonds
3
Heavy Atom Count
24
Polar Areas
98.66
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
3
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: 54586432
ChEMBL ID
CHEMBL1779679
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: PT01914, Transient receptor potential cation channel subfamily V member 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 270 nM
   TI
   LI
   LO
   TS
Protein ID: PT02183, Transient receptor potential cation channel subfamily V member 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 520 nM
   TI
   LI
   LO
   TS