General Information of the Compound
| Compound ID |
CP0413789
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| Compound Name |
2-[2-(3-phenoxyphenyl)ethyl]-1,2,4-triazinane-3,5,6-trione
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| Structure |
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| Formula |
C17H15N3O4
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| Molecular Weight |
325.324
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| Canonical SMILES |
Oc1nn(CCc2cccc(Oc3ccccc3)c2)c(=O)[nH]c1=O
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| InChI |
InChI=1S/C17H15N3O4/c21-15-16(22)19-20(17(23)18-15)10-9-12-5-4-8-14(11-12)24-13-6-2-1-3-7-13/h1-8,11H,9-10H2,(H,19,22)(H,18,21,23)
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| InChIKey |
SBNXOZWDXBPGOS-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