General Information of the Compound
Compound ID
CP0548353
Compound Name
4-(6-chloropyridin-2-yl)oxy-N-(5-methyl-1,3-thiazol-2-yl)butanamide
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Structure
Formula
C13H14ClN3O2S
Molecular Weight
311.794
Canonical SMILES
Cc1cnc(NC(=O)CCCOc2cccc(Cl)n2)s1
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InChI
InChI=1S/C13H14ClN3O2S/c1-9-8-15-13(20-9)17-11(18)5-3-7-19-12-6-2-4-10(14)16-12/h2,4,6,8H,3,5,7H2,1H3,(H,15,17,18)
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InChIKey
SROWLPUQHKWXGO-UHFFFAOYSA-N
Physicochemical Property
logP
3.29762
Rotatable Bonds
6
Heavy Atom Count
20
Polar Areas
64.11
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
20

"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: 155553594
ChEMBL ID
CHEMBL4547664
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 = 4700 nM
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