General Information of the Compound
Compound ID
CP0962522
Compound Name
SID47204260
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Structure
Formula
C19H18N2O3
Molecular Weight
322.364
Canonical SMILES
CC1=C(C(=O)OCc2ccccc2)C(c2ccccc2)NC(=O)N1
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InChI
InChI=1S/C19H18N2O3/c1-13-16(18(22)24-12-14-8-4-2-5-9-14)17(21-19(23)20-13)15-10-6-3-7-11-15/h2-11,17H,12H2,1H3,(H2,20,21,23)
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InChIKey
XTXVIQWVFGHLRD-UHFFFAOYSA-N
Physicochemical Property
logP
3.0579
Rotatable Bonds
4
Heavy Atom Count
24
Polar Areas
67.43
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
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: 2836941
ChEMBL ID
CHEMBL277597
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: PT06392, Sodium/iodide cotransporter
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000459 FRTL-5 Rattus norvegicus (Rat)  1
1
IC50 = 190 nM
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