General Information of the Compound
Compound ID
CP0383863
Compound Name
(S)-2-cyclopropyl-N-(5-fluorothiazol-2-yl)-2-(4-(trifluoromethyl)phenyl)acetamide
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Structure
Formula
C15H12F4N2OS
Molecular Weight
344.333
Canonical SMILES
Fc1cnc(NC(=O)[C@@H](C2CC2)c2ccc(cc2)C(F)(F)F)s1
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InChI
InChI=1S/C15H12F4N2OS/c16-11-7-20-14(23-11)21-13(22)12(8-1-2-8)9-3-5-10(6-4-9)15(17,18)19/h3-8,12H,1-2H2,(H,20,21,22)/t12-/m0/s1
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InChIKey
PNXFBSAGYDBTAS-LBPRGKRZSA-N
Physicochemical Property
logP
4.4333
Rotatable Bonds
4
Heavy Atom Count
23
Polar Areas
41.99
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
23

"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: 46226383
ChEMBL ID
CHEMBL608697
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: PT04096, Free fatty acid receptor 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 1100 nM
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   LI
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