General Information of the Compound
Compound ID
CP0483283
Compound Name
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-(4-methylphenyl)sulfonylmorpholine-3-carboxamide
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Structure
Formula
C22H23N3O5S2
Molecular Weight
473.576
Canonical SMILES
COc1ccc(cc1)-c1csc(NC(=O)C2COCCN2S(=O)(=O)c2ccc(C)cc2)n1
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InChI
InChI=1S/C22H23N3O5S2/c1-15-3-9-18(10-4-15)32(27,28)25-11-12-30-13-20(25)21(26)24-22-23-19(14-31-22)16-5-7-17(29-2)8-6-16/h3-10,14,20H,11-13H2,1-2H3,(H,23,24,26)
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InChIKey
HCUSMCNNJXKDQT-UHFFFAOYSA-N
Physicochemical Property
logP
3.15532
Rotatable Bonds
6
Heavy Atom Count
32
Polar Areas
97.83
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
7
Complexity
32

"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: 54765372
SID: 163469253
ChEMBL ID
CHEMBL2070987
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: PT04927, Potassium voltage-gated channel subfamily KQT member 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
EC50 = 4380 nM
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