General Information of the Compound
Compound ID
CP0506640
Compound Name
4-Hydroxy-N-thiazol-2-yl-benzenesulfonamide
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Structure
Formula
C9H8N2O3S2
Molecular Weight
256.308
Canonical SMILES
Oc1ccc(cc1)S(=O)(=O)Nc1nccs1
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InChI
InChI=1S/C9H8N2O3S2/c12-7-1-3-8(4-2-7)16(13,14)11-9-10-5-6-15-9/h1-6,12H,(H,10,11)
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InChIKey
JBACAGZMXLDQCR-UHFFFAOYSA-N
CAS
515-54-8
Physicochemical Property
logP
1.6495
Rotatable Bonds
3
Heavy Atom Count
16
Polar Areas
79.29
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
16

"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: 95285
ChEMBL ID
CHEMBL26894
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: PT01785, Endothelin-1 receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000139 A-10 Rattus norvegicus (Rat)  1
1
IC50 = 30000 nM
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