General Information of the Compound
Compound ID
CP0398579
Compound Name
4-chloro-N-[1-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]benzenesulfonamide
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Structure
Formula
C18H18ClN3O3S
Molecular Weight
391.88
Canonical SMILES
CCc1nnc(o1)C(Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1
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InChI
InChI=1S/C18H18ClN3O3S/c1-2-17-20-21-18(25-17)16(12-13-6-4-3-5-7-13)22-26(23,24)15-10-8-14(19)9-11-15/h3-11,16,22H,2,12H2,1H3
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InChIKey
BXZKGQRXWWXNIG-UHFFFAOYSA-N
Physicochemical Property
logP
3.5477
Rotatable Bonds
7
Heavy Atom Count
26
Polar Areas
85.09
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
26

"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: 118729160
ChEMBL ID
CHEMBL3402539
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 = 15200 nM
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