General Information of the Compound
Compound ID
CP0475622
Compound Name
N-ethyl-N'-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]oxamide
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Structure
Formula
C15H15N3O3
Molecular Weight
285.303
Canonical SMILES
CCNC(=O)C(=O)N\N=C\c1c(O)ccc2ccccc12
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InChI
InChI=1S/C15H15N3O3/c1-2-16-14(20)15(21)18-17-9-12-11-6-4-3-5-10(11)7-8-13(12)19/h3-9,19H,2H2,1H3,(H,16,20)(H,18,21)/b17-9+
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InChIKey
KCEIMUNLONXWTF-RQZCQDPDSA-N
Physicochemical Property
logP
1.1316
Rotatable Bonds
3
Heavy Atom Count
21
Polar Areas
90.79
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
4
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: 135588554
ChEMBL ID
CHEMBL4439559
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 > 30000 nM
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