General Information of the Compound
Compound ID
CP0514320
Compound Name
(S)-2-cyclopropyl-N-(5-fluorothiazol-2-yl)-2-(4-(methylsulfonyl)phenyl)acetamide
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Structure
Formula
C15H15FN2O3S2
Molecular Weight
354.428
Canonical SMILES
CS(=O)(=O)c1ccc(cc1)[C@H](C1CC1)C(=O)Nc1ncc(F)s1
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InChI
InChI=1S/C15H15FN2O3S2/c1-23(20,21)11-6-4-10(5-7-11)13(9-2-3-9)14(19)18-15-17-8-12(16)22-15/h4-9,13H,2-3H2,1H3,(H,17,18,19)/t13-/m0/s1
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InChIKey
WPEBAYDIUGUINW-ZDUSSCGKSA-N
Physicochemical Property
logP
2.818
Rotatable Bonds
5
Heavy Atom Count
23
Polar Areas
76.13
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
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: 46226384
ChEMBL ID
CHEMBL595001
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 > 100000 nM
   TI
   LI
   LO
   TS