General Information of the Compound
Compound ID
CP0534350
Compound Name
2-methyl-N-[4-([1,2,4]triazolo[4,3-a]quinoxalin-4-yloxy)phenyl]benzenesulfonamide
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Structure
Formula
C22H17N5O3S
Molecular Weight
431.477
Canonical SMILES
Cc1ccccc1S(=O)(=O)Nc1ccc(Oc2nc3ccccc3n3cnnc23)cc1
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InChI
InChI=1S/C22H17N5O3S/c1-15-6-2-5-9-20(15)31(28,29)26-16-10-12-17(13-11-16)30-22-21-25-23-14-27(21)19-8-4-3-7-18(19)24-22/h2-14,26H,1H3
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InChIKey
XMRJHTGWTVCCQH-UHFFFAOYSA-N
Physicochemical Property
logP
4.17902
Rotatable Bonds
5
Heavy Atom Count
31
Polar Areas
98.48
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
7
Complexity
31

"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: 53125737
ChEMBL ID
CHEMBL4876728
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: PT06376, Urea transporter 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000031 MDCK Canis lupus familiaris (Dog)  1
1
IC50 = 8000 nM
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