General Information of the Compound
Compound ID
CP0382070
Compound Name
1-[2-hydroxy-3-(4-phenylpiperazin-1-yl)propyl]-3-methyl-5,5-diphenylimidazolidine-2,4-dione
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Structure
Formula
C29H32N4O3
Molecular Weight
484.6
Canonical SMILES
CN1C(=O)N(CC(O)CN2CCN(CC2)c2ccccc2)C(C1=O)(c1ccccc1)c1ccccc1
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InChI
InChI=1S/C29H32N4O3/c1-30-27(35)29(23-11-5-2-6-12-23,24-13-7-3-8-14-24)33(28(30)36)22-26(34)21-31-17-19-32(20-18-31)25-15-9-4-10-16-25/h2-16,26,34H,17-22H2,1H3
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InChIKey
TVBQOTAVNLLBSF-UHFFFAOYSA-N
Physicochemical Property
logP
3.0073
Rotatable Bonds
7
Heavy Atom Count
36
Polar Areas
67.33
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
36

"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: 57401516
ChEMBL ID
CHEMBL1916746
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: PT00819, 5-hydroxytryptamine receptor 1A
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 324 nM
   TI
   LI
   LO
   TS
Protein ID: PT01354, 5-hydroxytryptamine receptor 6
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 20410 nM
   TI
   LI
   LO
   TS
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
Ki = 353 nM
   TI
   LI
   LO
   TS