General Information of the Compound
Compound ID
CP0559419
Compound Name
2-(4-chlorophenyl)sulfanyl-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide
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Structure
Formula
C19H15ClN2O2S
Molecular Weight
370.861
Canonical SMILES
Oc1ccc2ccccc2c1\C=N\NC(=O)CSc1ccc(Cl)cc1
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InChI
InChI=1S/C19H15ClN2O2S/c20-14-6-8-15(9-7-14)25-12-19(24)22-21-11-17-16-4-2-1-3-13(16)5-10-18(17)23/h1-11,23H,12H2,(H,22,24)/b21-11+
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InChIKey
KAUBKWGOPWEYHE-SRZZPIQSSA-N
Physicochemical Property
logP
4.4412
Rotatable Bonds
5
Heavy Atom Count
25
Polar Areas
61.69
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
25

"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: 135611181
ChEMBL ID
CHEMBL4470136
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 = 6000 nM
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