General Information of the Compound
Compound ID
CP0571217
Compound Name
3-[3-(4-phenylpiperazin-1-yl)propylamino]benzamide
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Structure
Formula
C20H26N4O
Molecular Weight
338.455
Canonical SMILES
NC(=O)c1cccc(NCCCN2CCN(CC2)c2ccccc2)c1
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InChI
InChI=1S/C20H26N4O/c21-20(25)17-6-4-7-18(16-17)22-10-5-11-23-12-14-24(15-13-23)19-8-2-1-3-9-19/h1-4,6-9,16,22H,5,10-15H2,(H2,21,25)
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InChIKey
QIPSIKHBTZAWAY-UHFFFAOYSA-N
Physicochemical Property
logP
2.4097
Rotatable Bonds
7
Heavy Atom Count
25
Polar Areas
61.6
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
25

"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: 90656688
ChEMBL ID
CHEMBL3262420
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
Ki = 63.3 nM
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