General Information of the Compound
Compound ID
CP0570221
Compound Name
2-methoxy-5-methyl-N-[4-[(1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)oxy]phenyl]benzenesulfonamide
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Formula
C24H21N5O4S
Molecular Weight
475.53
Canonical SMILES
COc1ccc(C)cc1S(=O)(=O)Nc1ccc(Oc2nc3ccccc3n3c(C)nnc23)cc1
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InChI
InChI=1S/C24H21N5O4S/c1-15-8-13-21(32-3)22(14-15)34(30,31)28-17-9-11-18(12-10-17)33-24-23-27-26-16(2)29(23)20-7-5-4-6-19(20)25-24/h4-14,28H,1-3H3
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InChIKey
KPBFDXQBAADFBS-UHFFFAOYSA-N
Physicochemical Property
logP
4.49604
Rotatable Bonds
6
Heavy Atom Count
34
Polar Areas
107.71
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
8
Complexity
34

"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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ChEMBL ID
CHEMBL4853998
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 > 20000 nM
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