General Information of the Compound
| Compound ID |
CP0219837
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| Compound Name |
1,2-Di-naphthalen-2-yl-ethane-1,2-dione
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| Synonyms |
1,2-Di-naphthalen-2-yl-ethane-1,2-dione
1,2-dinaphthalen-2-ylethane-1,2-dione
AC1MN9RI
BDBM50171924
Bis(2-naphthyl)glyoxal
CHEMBL189162
MolPort-003-808-637
SCHEMBL7220072
ZINC5705162
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| Structure |
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| Formula |
C22H14O2
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| Molecular Weight |
310.352
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| Canonical SMILES |
O=C(C(=O)c1ccc2ccccc2c1)c1ccc2ccccc2c1
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| InChI |
InChI=1S/C22H14O2/c23-21(19-11-9-15-5-1-3-7-17(15)13-19)22(24)20-12-10-16-6-2-4-8-18(16)14-20/h1-14H
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| InChIKey |
CUUMQBIJNWGQLU-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: PT02235, Cocaine esterase
Protein ID: PT02186, Liver carboxylesterase 1
Clinical Information about the Compound