General Information of the Compound
Compound ID
CP0425303
Compound Name
(1R,2R)-2-methyl-N-(4-methyl-3-phenyl-1,2-thiazol-5-yl)cyclopropane-1-carboxamide
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Structure
Formula
C15H16N2OS
Molecular Weight
272.373
Canonical SMILES
C[C@@H]1C[C@H]1C(=O)Nc1snc(c1C)-c1ccccc1
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InChI
InChI=1S/C15H16N2OS/c1-9-8-12(9)14(18)16-15-10(2)13(17-19-15)11-6-4-3-5-7-11/h3-7,9,12H,8H2,1-2H3,(H,16,18)/t9-,12-/m1/s1
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InChIKey
UTDCZGDLGDVTAF-BXKDBHETSA-N
Physicochemical Property
logP
3.71302
Rotatable Bonds
3
Heavy Atom Count
19
Polar Areas
41.99
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
19

"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: 67179855
ChEMBL ID
CHEMBL2011872
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: PT01994, Metabotropic glutamate receptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000125 MCB3901 Mesocricetus auratus (Golden hamster)  1
1
IC50 = 65 nM
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