General Information of the Compound
| Compound ID |
CP0540389
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| Compound Name |
2-Benzyl-[1,4]naphthoquinone
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| Structure |
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| Formula |
C17H12O2
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| Molecular Weight |
248.281
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| Canonical SMILES |
O=C1C=C(Cc2ccccc2)C(=O)c2ccccc12
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| InChI |
InChI=1S/C17H12O2/c18-16-11-13(10-12-6-2-1-3-7-12)17(19)15-9-5-4-8-14(15)16/h1-9,11H,10H2
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| InChIKey |
NRKPHAPQMRHQNY-UHFFFAOYSA-N
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| CAS |
33440-68-5
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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