General Information of the Compound
Compound ID
CP0527176
Compound Name
4-chloro-5-(4-chlorophenyl)-N-[(1R,3S)-3-hydroxycyclohexyl]-1,2-oxazole-3-carboxamide
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Structure
Formula
C16H16Cl2N2O3
Molecular Weight
355.221
Canonical SMILES
O[C@H]1CCC[C@H](C1)NC(=O)c1noc(c1Cl)-c1ccc(Cl)cc1
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InChI
InChI=1S/C16H16Cl2N2O3/c17-10-6-4-9(5-7-10)15-13(18)14(20-23-15)16(22)19-11-2-1-3-12(21)8-11/h4-7,11-12,21H,1-3,8H2,(H,19,22)/t11-,12+/m1/s1
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InChIKey
BSERHDVDNAHWNO-NEPJUHHUSA-N
Physicochemical Property
logP
3.6817
Rotatable Bonds
3
Heavy Atom Count
23
Polar Areas
75.36
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
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: 25181625
SID: 57289241
ChEMBL ID
CHEMBL1807876
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 = 5.012 nM
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