General Information of the Compound
Compound ID
CP0473388
Compound Name
4-(3-aminophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide
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Structure
Formula
C14H17N3O2S
Molecular Weight
291.376
Canonical SMILES
Cc1cnc(NC(=O)CCCOc2cccc(N)c2)s1
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InChI
InChI=1S/C14H17N3O2S/c1-10-9-16-14(20-10)17-13(18)6-3-7-19-12-5-2-4-11(15)8-12/h2,4-5,8-9H,3,6-7,15H2,1H3,(H,16,17,18)
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InChIKey
SOTLMSCXGWXEGA-UHFFFAOYSA-N
Physicochemical Property
logP
2.83142
Rotatable Bonds
6
Heavy Atom Count
20
Polar Areas
77.24
Hydrogen Bond Donor Count
2
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: 155547368
ChEMBL ID
CHEMBL4533193
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 > 40000 nM
   TI
   LI
   LO
   TS