General Information of the Compound
Compound ID
CP0881067
Compound Name
(+/-)-4-[2,5-Dioxo-4-hydroxymethyl-3-methyl-4-(3-methylphenyl)imidazolidin-1-yl]-2-trifluoromethylbenzonitrile
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Structure
Formula
C20H16F3N3O3
Molecular Weight
403.36
Canonical SMILES
Cc1cccc(C2(CO)C(=O)N(c3ccc(C#N)c(C(F)(F)F)c3)C(=O)N2C)c1
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InChI
InChI=1S/C20H16F3N3O3/c1-12-4-3-5-14(8-12)19(11-27)17(28)26(18(29)25(19)2)15-7-6-13(10-24)16(9-15)20(21,22)23/h3-9,27H,11H2,1-2H3
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InChIKey
PONWCDNXABYQOR-UHFFFAOYSA-N
Physicochemical Property
logP
3.1717
Rotatable Bonds
3
Heavy Atom Count
29
Polar Areas
84.64
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
29

"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: 59317186
SID: 163489164
ChEMBL ID
CHEMBL2178665
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
CL000017 HeLa Homo sapiens (Human)  1
1
Activity = 40 nM
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