General Information of the Compound
Compound ID
CP0483492
Compound Name
N-propan-2-yl-N-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]benzamide
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Formula
C22H30N4O
Molecular Weight
366.509
Canonical SMILES
CC(C)N(CCCN1CCN(CC1)c1ccccn1)C(=O)c1ccccc1
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InChI
InChI=1S/C22H30N4O/c1-19(2)26(22(27)20-9-4-3-5-10-20)14-8-13-24-15-17-25(18-16-24)21-11-6-7-12-23-21/h3-7,9-12,19H,8,13-18H2,1-2H3
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InChIKey
GPJYTMPPIWHLMP-UHFFFAOYSA-N
Physicochemical Property
logP
3.1445
Rotatable Bonds
7
Heavy Atom Count
27
Polar Areas
39.68
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
27

"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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ChEMBL ID
CHEMBL4800109
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
EC50 = 22.8 nM
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