General Information of the Compound
Compound ID
CP0437684
Compound Name
(1R,2R)-N-[3-(4-hydroxyphenyl)-4-methyl-1,2-thiazol-5-yl]-2-methylcyclopropane-1-carboxamide
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Structure
Formula
C15H16N2O2S
Molecular Weight
288.372
Canonical SMILES
C[C@@H]1C[C@H]1C(=O)Nc1snc(c1C)-c1ccc(O)cc1
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InChI
InChI=1S/C15H16N2O2S/c1-8-7-12(8)14(19)16-15-9(2)13(17-20-15)10-3-5-11(18)6-4-10/h3-6,8,12,18H,7H2,1-2H3,(H,16,19)/t8-,12-/m1/s1
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InChIKey
MJEBFQNRQDMUCQ-PRHODGIISA-N
Physicochemical Property
logP
3.41862
Rotatable Bonds
3
Heavy Atom Count
20
Polar Areas
62.22
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
20

"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: 136244237
ChEMBL ID
CHEMBL2011880
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 = 138 nM
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