General Information of the Compound
Compound ID
CP0509466
Compound Name
N,4-dimethyl-N-naphthalen-1-yl-1,3-thiazol-2-amine
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Structure
Formula
C15H14N2S
Molecular Weight
254.358
Canonical SMILES
CN(c1nc(C)cs1)c1cccc2ccccc12
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InChI
InChI=1S/C15H14N2S/c1-11-10-18-15(16-11)17(2)14-9-5-7-12-6-3-4-8-13(12)14/h3-10H,1-2H3
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InChIKey
FEDHPKYCNPWZMO-UHFFFAOYSA-N
Physicochemical Property
logP
4.37262
Rotatable Bonds
2
Heavy Atom Count
18
Polar Areas
16.13
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
18

"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: 44411271
ChEMBL ID
CHEMBL207801
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: PT01508, C-C chemokine receptor type 4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000108 CCRF-CEM Homo sapiens (Human)  1
1
IC50 > 25000 nM
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