General Information of the Compound
Compound ID
CP0460350
Compound Name
5-Methyl-1-(3-trifluoromethyl-phenyl)-1H-pyrazole-3-carboxylic acid (2-phenylamino-phenyl)-amide
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Structure
Formula
C24H19F3N4O
Molecular Weight
436.437
Canonical SMILES
Cc1cc(nn1-c1cccc(c1)C(F)(F)F)C(=O)Nc1ccccc1Nc1ccccc1
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InChI
InChI=1S/C24H19F3N4O/c1-16-14-22(30-31(16)19-11-7-8-17(15-19)24(25,26)27)23(32)29-21-13-6-5-12-20(21)28-18-9-3-2-4-10-18/h2-15,28H,1H3,(H,29,32)
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InChIKey
PFKJMKHJAZLOPK-UHFFFAOYSA-N
Physicochemical Property
logP
6.19542
Rotatable Bonds
5
Heavy Atom Count
32
Polar Areas
58.95
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
32

"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: 44313241
ChEMBL ID
CHEMBL76413
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 = 267 nM
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