General Information of the Compound
Compound ID
CP0564941
Compound Name
3-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3-diazaspiro[4.5]decane-2,4-dione
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Formula
C15H14F4N2O2
Molecular Weight
330.281
Canonical SMILES
Fc1ccc(cc1C(F)(F)F)N1C(=O)NC2(CCCCC2)C1=O
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InChI
InChI=1S/C15H14F4N2O2/c16-11-5-4-9(8-10(11)15(17,18)19)21-12(22)14(20-13(21)23)6-2-1-3-7-14/h4-5,8H,1-3,6-7H2,(H,20,23)
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InChIKey
LSSIJHQOVSPNNV-UHFFFAOYSA-N
Physicochemical Property
logP
3.6036
Rotatable Bonds
1
Heavy Atom Count
23
Polar Areas
49.41
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
23

"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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ChEMBL ID
CHEMBL4747499
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
CL000521 LAPC-4 Homo sapiens (Human)  1
1
IC50 = 4200 nM
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