General Information of the Compound
Compound ID
CP0529537
Compound Name
(7-Hydroxy-naphthalen-1-yl)-carbamic acid phenyl ester
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Structure
Formula
C17H13NO3
Molecular Weight
279.295
Canonical SMILES
Oc1ccc2cccc(NC(=O)Oc3ccccc3)c2c1
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InChI
InChI=1S/C17H13NO3/c19-13-10-9-12-5-4-8-16(15(12)11-13)18-17(20)21-14-6-2-1-3-7-14/h1-11,19H,(H,18,20)
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InChIKey
SFTAYEXZRWGVSP-UHFFFAOYSA-N
Physicochemical Property
logP
4.1563
Rotatable Bonds
2
Heavy Atom Count
21
Polar Areas
58.56
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
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: 20090380
ChEMBL ID
CHEMBL347492
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: PT02183, Transient receptor potential cation channel subfamily V member 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  2
1
IC50 = 6300 nM
   TI
   LI
   LO
   TS
2
Ki > 10000 nM
   TI
   LI
   LO
   TS