General Information of the Compound
Compound ID
CP0692353
Compound Name
5-(4-fluorophenyl)-3-(2-hydroxy-3-(4-(2-methoxyphenyl)piperazin-1-yl)propyl)-5-methylimidazolidine-2,4-dione
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Structure
Formula
C24H29FN4O4
Molecular Weight
456.518
Canonical SMILES
COc1ccccc1N1CCN(CC(O)CN2C(=O)NC(C)(c3ccc(F)cc3)C2=O)CC1
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InChI
InChI=1S/C24H29FN4O4/c1-24(17-7-9-18(25)10-8-17)22(31)29(23(32)26-24)16-19(30)15-27-11-13-28(14-12-27)20-5-3-4-6-21(20)33-2/h3-10,19,30H,11-16H2,1-2H3,(H,26,32)
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InChIKey
SVRPCXIKUIQHAL-UHFFFAOYSA-N
Physicochemical Property
logP
1.7844
Rotatable Bonds
7
Heavy Atom Count
33
Polar Areas
85.35
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
Complexity
33

"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: 86288948
ChEMBL ID
CHEMBL3302600
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: PT00941, 5-hydroxytryptamine receptor 7
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 347 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 3 nM
Protein ID: PT01005, D(2) dopamine receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 715 nM
   TI
   LI
   LO
   TS