General Information of the Compound
Compound ID
CP0381382
Compound Name
4-[4-(4-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]morpholine
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Structure
Formula
C14H15FN2O2S
Molecular Weight
294.351
Canonical SMILES
COc1cc(F)ccc1-c1csc(n1)N1CCOCC1
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InChI
InChI=1S/C14H15FN2O2S/c1-18-13-8-10(15)2-3-11(13)12-9-20-14(16-12)17-4-6-19-7-5-17/h2-3,8-9H,4-7H2,1H3
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InChIKey
BXSSVHAUFVXKOC-UHFFFAOYSA-N
Physicochemical Property
logP
2.7944
Rotatable Bonds
3
Heavy Atom Count
20
Polar Areas
34.59
Hydrogen Bond Donor Count
0
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: 118310056
ChEMBL ID
CHEMBL3323488
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)  2
1
IC50 = 230 nM
   TI
   LI
   LO
   TS
2
IC50 = 300 nM
   TI
   LI
   LO
   TS