General Information of the Compound
Compound ID
CP0166896
Compound Name
N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-methoxybenzamide
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Structure
Formula
C19H16N2O3
Molecular Weight
320.348
Canonical SMILES
COc1ccccc1C(=O)N\N=C\c1c(O)ccc2ccccc12
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InChI
InChI=1S/C19H16N2O3/c1-24-18-9-5-4-8-15(18)19(23)21-20-12-16-14-7-3-2-6-13(14)10-11-17(16)22/h2-12,22H,1H3,(H,21,23)/b20-12+
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InChIKey
SGIUPSNOFYYWMP-UDWIEESQSA-N
Physicochemical Property
logP
3.3179
Rotatable Bonds
4
Heavy Atom Count
24
Polar Areas
70.92
Hydrogen Bond Donor Count
2
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: 135491081
ChEMBL ID
CHEMBL1958233
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: PT01557, Indoleamine 2,3-dioxygenase 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000017 HeLa Homo sapiens (Human)  1
1
IC50 = 11300 nM
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