General Information of the Compound
Compound ID
CP0553991
Compound Name
N-(5-methyl-1,3-thiazol-2-yl)-5-phenylpentanamide
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Structure
Formula
C15H18N2OS
Molecular Weight
274.389
Canonical SMILES
Cc1cnc(NC(=O)CCCCc2ccccc2)s1
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InChI
InChI=1S/C15H18N2OS/c1-12-11-16-15(19-12)17-14(18)10-6-5-9-13-7-3-2-4-8-13/h2-4,7-8,11H,5-6,9-10H2,1H3,(H,16,17,18)
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InChIKey
ANLGLDWXUYBYLM-UHFFFAOYSA-N
Physicochemical Property
logP
3.80302
Rotatable Bonds
6
Heavy Atom Count
19
Polar Areas
41.99
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
19

"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: 145420162
ChEMBL ID
CHEMBL4464671
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 = 13000 nM
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