General Information of the Compound
Compound ID
CP0334412
Compound Name
N-cyclopentyl-5-cyclopropyl-N-(2-methylcyclohexyl)-1,2-oxazole-3-carboxamide
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Structure
Formula
C19H28N2O2
Molecular Weight
316.445
Canonical SMILES
CC1CCCCC1N(C1CCCC1)C(=O)c1cc(on1)C1CC1
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InChI
InChI=1S/C19H28N2O2/c1-13-6-2-5-9-17(13)21(15-7-3-4-8-15)19(22)16-12-18(23-20-16)14-10-11-14/h12-15,17H,2-11H2,1H3
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InChIKey
HMRCUYGASMXTND-UHFFFAOYSA-N
Physicochemical Property
logP
4.5155
Rotatable Bonds
4
Heavy Atom Count
23
Polar Areas
46.34
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
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: 25110510
ChEMBL ID
CHEMBL1995815
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 = 1740 nM
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