General Information of the Compound
Compound ID
CP0481191
Compound Name
N-[(E)-1-(4-aminophenyl)ethylideneamino]-3-hydroxynaphthalene-2-carboxamide
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Structure
Formula
C19H17N3O2
Molecular Weight
319.364
Canonical SMILES
C\C(=N/NC(=O)c1cc2ccccc2cc1O)c1ccc(N)cc1
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InChI
InChI=1S/C19H17N3O2/c1-12(13-6-8-16(20)9-7-13)21-22-19(24)17-10-14-4-2-3-5-15(14)11-18(17)23/h2-11,23H,20H2,1H3,(H,22,24)/b21-12+
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InChIKey
OQHUPDDYTKRLQF-CIAFOILYSA-N
Physicochemical Property
logP
3.2816
Rotatable Bonds
3
Heavy Atom Count
24
Polar Areas
87.71
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
4
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: 5407221
ChEMBL ID
CHEMBL4060705
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: PT03123, G-protein coupled receptor 39
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 = 1100 nM
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