General Information of the Compound
Compound ID
CP0087497
Compound Name
N-(7-oxo-6-piperidin-4-yl-4,5-dihydro-1H-pyrazolo[3,4-c]pyridin-3-yl)naphthalene-1-sulfonamide
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Structure
Formula
C21H23N5O3S
Molecular Weight
425.514
Canonical SMILES
O=C1N(CCc2c(NS(=O)(=O)c3cccc4ccccc34)n[nH]c12)C1CCNCC1
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InChI
InChI=1S/C21H23N5O3S/c27-21-19-17(10-13-26(21)15-8-11-22-12-9-15)20(24-23-19)25-30(28,29)18-7-3-5-14-4-1-2-6-16(14)18/h1-7,15,22H,8-13H2,(H2,23,24,25)
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InChIKey
RINDWKCBWYZRSG-UHFFFAOYSA-N
Physicochemical Property
logP
2.114
Rotatable Bonds
4
Heavy Atom Count
30
Polar Areas
107.19
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
5
Complexity
30

"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: 71814155
ChEMBL ID
CHEMBL2407551
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: PT01354, 5-hydroxytryptamine receptor 6
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000017 HeLa Homo sapiens (Human)  1
1
IC50 = 770 nM
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