General Information of the Compound
Compound ID
CP0380837
Compound Name
N-[2-(4-methylpyridin-2-yl)pyrazol-3-yl]-4-(trifluoromethyl)benzenesulfonamide
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Structure
Formula
C16H13F3N4O2S
Molecular Weight
382.367
Canonical SMILES
Cc1ccnc(c1)-n1nccc1NS(=O)(=O)c1ccc(cc1)C(F)(F)F
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InChI
InChI=1S/C16H13F3N4O2S/c1-11-6-8-20-15(10-11)23-14(7-9-21-23)22-26(24,25)13-4-2-12(3-5-13)16(17,18)19/h2-10,22H,1H3
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InChIKey
WZBBAWGHQYOPER-UHFFFAOYSA-N
Physicochemical Property
logP
3.39532
Rotatable Bonds
4
Heavy Atom Count
26
Polar Areas
76.88
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
26

"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: 90286007
ChEMBL ID
CHEMBL3342794
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: PT01658, Oxytocin receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
EC50 = 17 nM
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