General Information of the Compound
| Compound ID |
CP0473485
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| Compound Name |
2-(naphthalen-2-ylmethyl)-1,2,4-triazinane-3,5,6-trione
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| Structure |
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| Formula |
C14H11N3O3
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| Molecular Weight |
269.26
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| Canonical SMILES |
Oc1nn(Cc2ccc3ccccc3c2)c(=O)[nH]c1=O
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| InChI |
InChI=1S/C14H11N3O3/c18-12-13(19)16-17(14(20)15-12)8-9-5-6-10-3-1-2-4-11(10)7-9/h1-7H,8H2,(H,16,19)(H,15,18,20)
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| InChIKey |
BUVVOWPZHFKHNK-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