General Information of the Compound
| Compound ID |
CP0549089
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| Compound Name |
2-(2-naphthalen-1-ylethyl)-1,2,4-triazinane-3,5,6-trione
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| Structure |
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| Formula |
C15H13N3O3
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| Molecular Weight |
283.287
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| Canonical SMILES |
Oc1nn(CCc2cccc3ccccc23)c(=O)[nH]c1=O
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| InChI |
InChI=1S/C15H13N3O3/c19-13-14(20)17-18(15(21)16-13)9-8-11-6-3-5-10-4-1-2-7-12(10)11/h1-7H,8-9H2,(H,17,20)(H,16,19,21)
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| InChIKey |
YKGMBYXABVNRBZ-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