General Information of the Compound
Compound ID
CP0383248
Compound Name
4-Amino-N-(4-chloro-5-methyl-isoxazol-3-yl)-benzenesulfonamide
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Structure
Formula
C10H10ClN3O3S
Molecular Weight
287.728
Canonical SMILES
Cc1onc(NS(=O)(=O)c2ccc(N)cc2)c1Cl
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InChI
InChI=1S/C10H10ClN3O3S/c1-6-9(11)10(13-17-6)14-18(15,16)8-4-2-7(12)3-5-8/h2-5H,12H2,1H3,(H,13,14)
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InChIKey
QHJMPDJENMIZNK-UHFFFAOYSA-N
Physicochemical Property
logP
2.01942
Rotatable Bonds
3
Heavy Atom Count
18
Polar Areas
98.22
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
18

"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: 44298613
ChEMBL ID
CHEMBL55406
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
CL000238 A7r5 Rattus norvegicus (Rat)  1
1
IC50 = 3500 nM
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