General Information of the Compound
Compound ID
CP0430524
Compound Name
2-Hydroxy-5-[1-(2'-hydroxy-[1,1';3',1'']terphenyl-5'-yl)-meth-(Z)-ylidene]-thiazol-4-one
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Structure
Formula
C22H15NO3S
Molecular Weight
373.433
Canonical SMILES
Oc1c(cc(\C=C2/SC(=O)NC2=O)cc1-c1ccccc1)-c1ccccc1
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InChI
InChI=1S/C22H15NO3S/c24-20-17(15-7-3-1-4-8-15)11-14(13-19-21(25)23-22(26)27-19)12-18(20)16-9-5-2-6-10-16/h1-13,24H,(H,23,25,26)/b19-13-
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InChIKey
OHUUWMIAGBHVMQ-UYRXBGFRSA-N
Physicochemical Property
logP
5.0501
Rotatable Bonds
3
Heavy Atom Count
27
Polar Areas
66.4
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
27

"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: 10067948
SID: 15053166
ChEMBL ID
CHEMBL112733
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: PT01743, Polyunsaturated fatty acid 5-lipoxygenase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000194 RBL-1 Rattus norvegicus (Rat)  1
1
IC50 = 160 nM
   TI
   LI
   LO
   TS