General Information of the Compound
Compound ID
CP0570220
Compound Name
N-[4-[(1-ethoxy-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)oxy]phenyl]-2-methoxy-5-methylbenzenesulfonamide
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Formula
C25H23N5O5S
Molecular Weight
505.556
Canonical SMILES
CCOc1nnc2c(Oc3ccc(NS(=O)(=O)c4cc(C)ccc4OC)cc3)nc3ccccc3n12
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InChI
InChI=1S/C25H23N5O5S/c1-4-34-25-28-27-23-24(26-19-7-5-6-8-20(19)30(23)25)35-18-12-10-17(11-13-18)29-36(31,32)22-15-16(2)9-14-21(22)33-3/h5-15,29H,4H2,1-3H3
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InChIKey
RTQFWXQJWJDGJI-UHFFFAOYSA-N
Physicochemical Property
logP
4.58632
Rotatable Bonds
8
Heavy Atom Count
36
Polar Areas
116.94
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
9
Complexity
36

"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
CHEMBL4852161
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 = 1500 nM
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