General Information of the Compound
Compound ID
CP0393716
Compound Name
N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-2,5-dichlorobenzenesulfonamide
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Structure
Formula
C10H7BrCl2N2O3S
Molecular Weight
386.054
Canonical SMILES
Cc1noc(NS(=O)(=O)c2cc(Cl)ccc2Cl)c1Br
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InChI
InChI=1S/C10H7BrCl2N2O3S/c1-5-9(11)10(18-14-5)15-19(16,17)8-4-6(12)2-3-7(8)13/h2-4,15H,1H3
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InChIKey
KLVAVDXAWNBCNZ-UHFFFAOYSA-N
Physicochemical Property
logP
3.85312
Rotatable Bonds
3
Heavy Atom Count
19
Polar Areas
72.2
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
19

"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: 18617351
ChEMBL ID
CHEMBL309397
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 = 25000 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 = 110 nM
   TI
   LI
   LO
   TS