General Information of the Compound
Compound ID
CP0465402
Compound Name
N-[4-(5-amino-1-pyridin-2-ylpyrazol-3-yl)phenyl]-4-methoxybenzenesulfonamide
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Structure
Formula
C21H19N5O3S
Molecular Weight
421.482
Canonical SMILES
COc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)-c1cc(N)n(n1)-c1ccccn1
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InChI
InChI=1S/C21H19N5O3S/c1-29-17-9-11-18(12-10-17)30(27,28)25-16-7-5-15(6-8-16)19-14-20(22)26(24-19)21-4-2-3-13-23-21/h2-14,25H,22H2,1H3
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InChIKey
GADSYRLWCNSABX-UHFFFAOYSA-N
Physicochemical Property
logP
3.3259
Rotatable Bonds
6
Heavy Atom Count
30
Polar Areas
112.13
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
7
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: 44312927
ChEMBL ID
CHEMBL307462
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: PT01795, Neuropeptide Y receptor type 5
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 436 nM
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