General Information of the Compound
Compound ID
CP0489751
Compound Name
N-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]naphthalen-2-amine
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Structure
Formula
C22H16ClN3S
Molecular Weight
389.911
Canonical SMILES
Clc1ccc(cc1)-c1nc2sccn2c1CNc1ccc2ccccc2c1
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InChI
InChI=1S/C22H16ClN3S/c23-18-8-5-16(6-9-18)21-20(26-11-12-27-22(26)25-21)14-24-19-10-7-15-3-1-2-4-17(15)13-19/h1-13,24H,14H2
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InChIKey
LXKSHTYOIRVCTD-UHFFFAOYSA-N
Physicochemical Property
logP
6.4815
Rotatable Bonds
4
Heavy Atom Count
27
Polar Areas
29.33
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
27

"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: 142505428
ChEMBL ID
CHEMBL4483434
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: PT03733, Nuclear receptor subfamily 1 group I member 3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000063 Hep-G2 Homo sapiens (Human)  1
1
EC50 = 63000 nM
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