General Information of the Compound
Compound ID
CP0389393
Compound Name
(2S)-2-[[4-[3-(trifluoromethyl)phenyl]phenoxy]methyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one
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Structure
Formula
C20H15F3N2O3
Molecular Weight
388.345
Canonical SMILES
FC(F)(F)c1cccc(c1)-c1ccc(OC[C@@H]2Cn3ccc(=O)nc3O2)cc1
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InChI
InChI=1S/C20H15F3N2O3/c21-20(22,23)15-3-1-2-14(10-15)13-4-6-16(7-5-13)27-12-17-11-25-9-8-18(26)24-19(25)28-17/h1-10,17H,11-12H2/t17-/m0/s1
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InChIKey
AYYWUDDPGRDIQB-KRWDZBQOSA-N
Physicochemical Property
logP
3.7691
Rotatable Bonds
4
Heavy Atom Count
28
Polar Areas
53.35
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Complexity
28

"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: 67060124
ChEMBL ID
CHEMBL4283963
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: PT01491, Metabotropic glutamate receptor 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000460 Flp-In-T-REx-293 Homo sapiens (Human)  1
1
EC50 = 79.5 nM
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