General Information of the Compound
Compound ID
CP0667051
Compound Name
(R)-4-[3,4-dimethyl-2,5-dioxo-4-(4-hydroxyphenyl)imidazolidin-1-yl]-2-methoxybenzonitrile
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Structure
Formula
C19H17N3O4
Molecular Weight
351.362
Canonical SMILES
COc1cc(N2C(=O)N(C)[C@](C)(c3ccc(O)cc3)C2=O)ccc1C#N
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InChI
InChI=1S/C19H17N3O4/c1-19(13-5-8-15(23)9-6-13)17(24)22(18(25)21(19)2)14-7-4-12(11-20)16(10-14)26-3/h4-10,23H,1-3H3/t19-/m1/s1
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InChIKey
RQLVUZXMBCSRPX-LJQANCHMSA-N
Physicochemical Property
logP
2.58628
Rotatable Bonds
3
Heavy Atom Count
26
Polar Areas
93.87
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
26

"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: 24812090
SID: 49759035
ChEMBL ID
CHEMBL2177240
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 = 1.5 nM
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