General Information of the Compound
Compound ID
CP0381384
Compound Name
4-(4-fluorophenyl)-2-(4-pyridyl)thiazole
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Structure
Formula
C14H9FN2S
Molecular Weight
256.305
Canonical SMILES
Fc1ccc(cc1)-c1csc(n1)-c1ccncc1
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InChI
InChI=1S/C14H9FN2S/c15-12-3-1-10(2-4-12)13-9-18-14(17-13)11-5-7-16-8-6-11/h1-9H
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InChIKey
MGLXHDCQJSFDEN-UHFFFAOYSA-N
Physicochemical Property
logP
4.0112
Rotatable Bonds
2
Heavy Atom Count
18
Polar Areas
25.78
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: 738487
SID: 16252862
ChEMBL ID
CHEMBL1403349
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: PT00894, Androgen receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000141 LNCaP Homo sapiens (Human)  1
1
IC50 = 1270 nM
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