General Information of the Compound
Compound ID
CP0249500
Compound Name
4-methoxy-N-(4-oxidanylnaphthalen-1-yl)benzenesulfonamide
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Structure
Formula
C17H15NO4S
Molecular Weight
329.377
Canonical SMILES
COc1ccc(cc1)S(=O)(=O)Nc1ccc(O)c2ccccc12
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InChI
InChI=1S/C17H15NO4S/c1-22-12-6-8-13(9-7-12)23(20,21)18-16-10-11-17(19)15-5-3-2-4-14(15)16/h2-11,18-19H,1H3
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InChIKey
BUESECBBBYRGKQ-UHFFFAOYSA-N
Physicochemical Property
logP
3.3548
Rotatable Bonds
4
Heavy Atom Count
23
Polar Areas
75.63
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
23

"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: 871185
ChEMBL ID
CHEMBL1507162
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: PT06109, Geminin
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000015 SW480 Homo sapiens (Human)  1
1
Potency ~ 20596.2 nM
   TI
   LI
   LO
   TS
Protein ID: PT06033, Microphthalmia-associated transcription factor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000242 SK-MEL-5 Homo sapiens (Human)  1
1
AC50 = 14675 nM
   TI
   LI
   LO
   TS