General Information of the Compound
Compound ID
CP0427436
Compound Name
N-[2-oxo-2-[4-(2-phenylethyl)piperazin-1-yl]ethyl]naphthalene-1-sulfonamide
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Structure
Formula
C24H27N3O3S
Molecular Weight
437.565
Canonical SMILES
O=C(CNS(=O)(=O)c1cccc2ccccc12)N1CCN(CCc2ccccc2)CC1
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InChI
InChI=1S/C24H27N3O3S/c28-24(27-17-15-26(16-18-27)14-13-20-7-2-1-3-8-20)19-25-31(29,30)23-12-6-10-21-9-4-5-11-22(21)23/h1-12,25H,13-19H2
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InChIKey
DRSNVEHHPZZUQD-UHFFFAOYSA-N
Physicochemical Property
logP
2.505
Rotatable Bonds
7
Heavy Atom Count
31
Polar Areas
69.72
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
31

"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: 16748851
SID: 26734924
ChEMBL ID
CHEMBL387801
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: PT01449, P2X purinoceptor 7
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 > 1000 nM
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   LI
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