General Information of the Compound
| Compound ID |
CP0545450
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| Compound Name |
2-[2-(4-methoxyphenyl)ethyl]-1,2,4-triazinane-3,5,6-trione
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| Structure |
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| Formula |
C12H13N3O4
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| Molecular Weight |
263.253
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| Canonical SMILES |
COc1ccc(CCn2nc(O)c(=O)[nH]c2=O)cc1
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| InChI |
InChI=1S/C12H13N3O4/c1-19-9-4-2-8(3-5-9)6-7-15-12(18)13-10(16)11(17)14-15/h2-5H,6-7H2,1H3,(H,14,17)(H,13,16,18)
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| InChIKey |
DUQTWXDVDOGMRC-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