General Information of the Compound
Compound ID
CP0473829
Compound Name
3-N-cyclopentyl-4-N-ethyl-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3,4-dicarboxamide
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Structure
Formula
C19H20F3N3O3
Molecular Weight
395.381
Canonical SMILES
CCNC(=O)c1c(noc1-c1ccc(cc1)C(F)(F)F)C(=O)NC1CCCC1
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InChI
InChI=1S/C19H20F3N3O3/c1-2-23-17(26)14-15(18(27)24-13-5-3-4-6-13)25-28-16(14)11-7-9-12(10-8-11)19(20,21)22/h7-10,13H,2-6H2,1H3,(H,23,26)(H,24,27)
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InChIKey
XGVKBOPUNHIQLC-UHFFFAOYSA-N
Physicochemical Property
logP
3.7825
Rotatable Bonds
5
Heavy Atom Count
28
Polar Areas
84.23
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
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: 56659771
ChEMBL ID
CHEMBL1807961
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: PT02183, Transient receptor potential cation channel subfamily V member 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 5011.87 nM
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