General Information of the Compound
Compound ID
CP0383629
Compound Name
N-[[4-[5-amino-1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]phenyl]methyl]benzenesulfonamide
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Structure
Formula
C23H19F3N4O2S
Molecular Weight
472.492
Canonical SMILES
Nc1cc(nn1-c1ccc(cc1)C(F)(F)F)-c1ccc(CNS(=O)(=O)c2ccccc2)cc1
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InChI
InChI=1S/C23H19F3N4O2S/c24-23(25,26)18-10-12-19(13-11-18)30-22(27)14-21(29-30)17-8-6-16(7-9-17)15-28-33(31,32)20-4-2-1-3-5-20/h1-14,28H,15,27H2
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InChIKey
WSBHZSVKKICZAF-UHFFFAOYSA-N
Physicochemical Property
logP
4.6188
Rotatable Bonds
6
Heavy Atom Count
33
Polar Areas
90.01
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
33

"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: 44312965
ChEMBL ID
CHEMBL308508
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 = 114 nM
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