General Information of the Compound
Compound ID
CP0511424
Compound Name
N-[(2R)-2-hydroxy-3-piperidin-1-ylpropyl]naphthalene-1-sulfonamide
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Structure
Formula
C18H24N2O3S
Molecular Weight
348.468
Canonical SMILES
O[C@@H](CNS(=O)(=O)c1cccc2ccccc12)CN1CCCCC1
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InChI
InChI=1S/C18H24N2O3S/c21-16(14-20-11-4-1-5-12-20)13-19-24(22,23)18-10-6-8-15-7-2-3-9-17(15)18/h2-3,6-10,16,19,21H,1,4-5,11-14H2/t16-/m0/s1
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InChIKey
HVJAYFJHJZUVBX-INIZCTEOSA-N
Physicochemical Property
logP
1.9649
Rotatable Bonds
6
Heavy Atom Count
24
Polar Areas
69.64
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
24

"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: 10308908
SID: 15316613
ChEMBL ID
CHEMBL428736
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: PT02185, Sodium- and chloride-dependent glycine transporter 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 3162.28 nM
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