General Information of the Compound
Compound ID
CP0429826
Compound Name
N-(3,4-dimethyl-1,2-oxazol-5-yl)naphthalene-1-sulfonamide
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Structure
Formula
C15H14N2O3S
Molecular Weight
302.355
Canonical SMILES
Cc1noc(NS(=O)(=O)c2cccc3ccccc23)c1C
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InChI
InChI=1S/C15H14N2O3S/c1-10-11(2)16-20-15(10)17-21(18,19)14-9-5-7-12-6-3-4-8-13(12)14/h3-9,17H,1-2H3
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InChIKey
ZEOXLCVRBAOHIV-UHFFFAOYSA-N
Physicochemical Property
logP
3.24544
Rotatable Bonds
3
Heavy Atom Count
21
Polar Areas
72.2
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
21

"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: 10357554
SID: 15370397
ChEMBL ID
CHEMBL27065
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: PT01783, Endothelin receptor type B
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000053 COS-7 Chlorocebus aethiops (Green monkey)  1
1
IC50 = 49000 nM
   TI
   LI
   LO
   TS
Protein ID: PT01372, Endothelin-1 receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000005 TE 671 Homo sapiens (Human)  1
1
IC50 = 440 nM
   TI
   LI
   LO
   TS
CL000139 A-10 Rattus norvegicus (Rat)  1
1
IC50 = 20000 nM
   TI
   LI
   LO
   TS
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 = 20000 nM
   TI
   LI
   LO
   TS