General Information of the Compound
Compound ID
CP0270537
Compound Name
N-cycloheptyl-5-cyclopropyl-N-(2-methylcyclohexyl)-1,2-oxazole-3-carboxamide
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Structure
Formula
C21H32N2O2
Molecular Weight
344.499
Canonical SMILES
CC1CCCCC1N(C1CCCCCC1)C(=O)c1cc(on1)C1CC1
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InChI
InChI=1S/C21H32N2O2/c1-15-8-6-7-11-19(15)23(17-9-4-2-3-5-10-17)21(24)18-14-20(25-22-18)16-12-13-16/h14-17,19H,2-13H2,1H3
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InChIKey
SKMFQTAOSOOOIV-UHFFFAOYSA-N
Physicochemical Property
logP
5.2957
Rotatable Bonds
4
Heavy Atom Count
25
Polar Areas
46.34
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
25

"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: 25110499
ChEMBL ID
CHEMBL1965004
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 = 535 nM
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