General Information of the Compound
Compound ID
CP0210527
Compound Name
N-cyclohexyl-5-cyclopropyl-N-(oxan-4-yl)-1,2-oxazole-3-carboxamide
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Structure
Formula
C18H26N2O3
Molecular Weight
318.417
Canonical SMILES
O=C(N(C1CCCCC1)C1CCOCC1)c1cc(on1)C1CC1
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InChI
InChI=1S/C18H26N2O3/c21-18(16-12-17(23-19-16)13-6-7-13)20(14-4-2-1-3-5-14)15-8-10-22-11-9-15/h12-15H,1-11H2
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InChIKey
VCKBQXZZHJAFAK-UHFFFAOYSA-N
Physicochemical Property
logP
3.5059
Rotatable Bonds
4
Heavy Atom Count
23
Polar Areas
55.57
Hydrogen Bond Donor Count
0
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: 25110500
ChEMBL ID
CHEMBL1967913
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: PT01838, Sphingosine 1-phosphate receptor 3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
EC50 = 3536 nM
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