General Information of the Compound
Compound ID
CP0232744
Compound Name
N,N-dicyclohexyl-5-(3,4-diethoxyphenyl)-1,2-oxazole-3-carboxamide
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Structure
Formula
C26H36N2O4
Molecular Weight
440.584
Canonical SMILES
CCOc1ccc(cc1OCC)-c1cc(no1)C(=O)N(C1CCCCC1)C1CCCCC1
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InChI
InChI=1S/C26H36N2O4/c1-3-30-23-16-15-19(17-25(23)31-4-2)24-18-22(27-32-24)26(29)28(20-11-7-5-8-12-20)21-13-9-6-10-14-21/h15-18,20-21H,3-14H2,1-2H3
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InChIKey
MNTCJMJDKMJXDL-UHFFFAOYSA-N
Physicochemical Property
logP
6.2466
Rotatable Bonds
8
Heavy Atom Count
32
Polar Areas
64.8
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Complexity
32

"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: 72546270
ChEMBL ID
CHEMBL3088205
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 = 8070 nM
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