General Information of the Compound
Compound ID
CP0550947
Compound Name
1-[(E)-(1,3-thiazol-2-ylhydrazinylidene)methyl]naphthalen-2-ol
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Structure
Formula
C14H11N3OS
Molecular Weight
269.329
Canonical SMILES
Oc1ccc2ccccc2c1\C=N\Nc1nccs1
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InChI
InChI=1S/C14H11N3OS/c18-13-6-5-10-3-1-2-4-11(10)12(13)9-16-17-14-15-7-8-19-14/h1-9,18H,(H,15,17)/b16-9+
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InChIKey
ZCWXMSGNHAXDPG-CXUHLZMHSA-N
Physicochemical Property
logP
3.4479
Rotatable Bonds
3
Heavy Atom Count
19
Polar Areas
57.51
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
19

"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: 135821912
ChEMBL ID
CHEMBL4441761
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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   LI
   LO
   TS