General Information of the Compound
Compound ID
CP0543039
Compound Name
4-(2-methoxyphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide
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Structure
Formula
C15H18N2O3S
Molecular Weight
306.387
Canonical SMILES
COc1ccccc1OCCCC(=O)Nc1ncc(C)s1
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InChI
InChI=1S/C15H18N2O3S/c1-11-10-16-15(21-11)17-14(18)8-5-9-20-13-7-4-3-6-12(13)19-2/h3-4,6-7,10H,5,8-9H2,1-2H3,(H,16,17,18)
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InChIKey
GFOPAGUZFMSOHR-UHFFFAOYSA-N
Physicochemical Property
logP
3.25782
Rotatable Bonds
7
Heavy Atom Count
21
Polar Areas
60.45
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
21

"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: 145420104
ChEMBL ID
CHEMBL4457218
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: PT04279, Protein Tat
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000088 Flp-In-293 Homo sapiens (Human)  1
1
EC50 = 1200 nM
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