General Information of the Compound
Compound ID
CP0398580
Compound Name
4-chloro-N-[1-(4,5-diethyl-1,2-oxazol-3-yl)ethyl]benzenesulfonamide
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Structure
Formula
C15H19ClN2O3S
Molecular Weight
342.848
Canonical SMILES
CCc1onc(C(C)NS(=O)(=O)c2ccc(Cl)cc2)c1CC
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InChI
InChI=1S/C15H19ClN2O3S/c1-4-13-14(5-2)21-17-15(13)10(3)18-22(19,20)12-8-6-11(16)7-9-12/h6-10,18H,4-5H2,1-3H3
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InChIKey
BMLPSVYTQHAJFV-UHFFFAOYSA-N
Physicochemical Property
logP
3.4923
Rotatable Bonds
6
Heavy Atom Count
22
Polar Areas
72.2
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
22

"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: 24863828
SID: 50095850
ChEMBL ID
CHEMBL3402542
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: PT01688, Sphingosine 1-phosphate receptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000043 U2OS Homo sapiens (Human)  1
1
EC50 = 3030 nM
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