General Information of the Compound
Compound ID
CP0510974
Compound Name
N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-(ethylamino)benzenesulfonamide
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Structure
Formula
C13H17N3O3S
Molecular Weight
295.364
Canonical SMILES
CCNc1ccc(cc1)S(=O)(=O)Nc1onc(C)c1C
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InChI
InChI=1S/C13H17N3O3S/c1-4-14-11-5-7-12(8-6-11)20(17,18)16-13-9(2)10(3)15-19-13/h5-8,14,16H,4H2,1-3H3
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InChIKey
ULNGREUDJHQHEA-UHFFFAOYSA-N
Physicochemical Property
logP
2.52404
Rotatable Bonds
5
Heavy Atom Count
20
Polar Areas
84.23
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
20

"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: 10017402
SID: 14998365
ChEMBL ID
CHEMBL30078
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 = 5000 nM
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