General Information of the Compound
Compound ID
CP0377504
Compound Name
N-[4-[5-amino-1-[4-(trifluoromethyl)pyridin-2-yl]pyrazol-3-yl]phenyl]-4-methoxybenzenesulfonamide
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Structure
Formula
C22H18F3N5O3S
Molecular Weight
489.479
Canonical SMILES
COc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)-c1cc(N)n(n1)-c1cc(ccn1)C(F)(F)F
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InChI
InChI=1S/C22H18F3N5O3S/c1-33-17-6-8-18(9-7-17)34(31,32)29-16-4-2-14(3-5-16)19-13-20(26)30(28-19)21-12-15(10-11-27-21)22(23,24)25/h2-13,29H,26H2,1H3
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InChIKey
FYRWSSHJWBHTPP-UHFFFAOYSA-N
Physicochemical Property
logP
4.3447
Rotatable Bonds
6
Heavy Atom Count
34
Polar Areas
112.13
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
7
Complexity
34

"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: 44312689
ChEMBL ID
CHEMBL72742
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 > 1000 nM
   TI
   LI
   LO
   TS