General Information of the Compound
Compound ID
CP0404628
Compound Name
N-[7-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]naphthalen-1-yl]acetamide
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Structure
Formula
C17H17N3O4S
Molecular Weight
359.407
Canonical SMILES
CC(=O)Nc1cccc2ccc(cc12)S(=O)(=O)Nc1onc(C)c1C
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InChI
InChI=1S/C17H17N3O4S/c1-10-11(2)19-24-17(10)20-25(22,23)14-8-7-13-5-4-6-16(15(13)9-14)18-12(3)21/h4-9,20H,1-3H3,(H,18,21)
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InChIKey
SYZDITDRCXPOLE-UHFFFAOYSA-N
Physicochemical Property
logP
3.20384
Rotatable Bonds
4
Heavy Atom Count
25
Polar Areas
101.3
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
25

"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: 9975719
SID: 14953471
ChEMBL ID
CHEMBL25977
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: PT01785, Endothelin-1 receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000139 A-10 Rattus norvegicus (Rat)  1
1
IC50 = 27500 nM
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