General Information of the Compound
Compound ID
CP0431494
Compound Name
N-(piperidin-4-ylmethyl)-1-propan-2-ylindazole-3-carboxamide
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Structure
Formula
C17H24N4O
Molecular Weight
300.406
Canonical SMILES
CC(C)n1nc(C(=O)NCC2CCNCC2)c2ccccc12
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InChI
InChI=1S/C17H24N4O/c1-12(2)21-15-6-4-3-5-14(15)16(20-21)17(22)19-11-13-7-9-18-10-8-13/h3-6,12-13,18H,7-11H2,1-2H3,(H,19,22)
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InChIKey
CRKKBLJOBGERJR-UHFFFAOYSA-N
Physicochemical Property
logP
2.3466
Rotatable Bonds
4
Heavy Atom Count
22
Polar Areas
58.95
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
22

"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: 21252890
SID: 85283398
ChEMBL ID
CHEMBL552796
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: PT01307, 5-hydroxytryptamine receptor 4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 7.943 nM
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