General Information of the Compound
| Compound ID |
CP0439652
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| Compound Name |
2-Naphthalen-2-yl-benzoic acid methyl ester
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| Synonyms |
2-(2-Naphthyl)benzoic acid methyl ester
2-Naphthalen-2-yl-benzoic acid methyl ester
BDBM50090973
CHEMBL103936
Methyl 2-(naphthalen-2-yl)benzoate
SCHEMBL16683936
ZINC13809589
methyl 2-(naphthalen-2-yl)benzoate
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| Structure |
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| Formula |
C18H14O2
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| Molecular Weight |
262.308
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| Canonical SMILES |
COC(=O)c1ccccc1-c1ccc2ccccc2c1
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| InChI |
InChI=1S/C18H14O2/c1-20-18(19)17-9-5-4-8-16(17)15-11-10-13-6-2-3-7-14(13)12-15/h2-12H,1H3
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| InChIKey |
SKSUKRWKVAZHJI-UHFFFAOYSA-N
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| Physicochemical Property |
"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). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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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 |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00884, Sodium-dependent dopamine transporter
Protein ID: PT01026, Sodium-dependent noradrenaline transporter
Clinical Information about the Compound