General Information of the Compound
| Compound ID |
CP0534727
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| Compound Name |
2-[2-(3-hydroxyphenyl)ethyl]-1,2,4-triazinane-3,5,6-trione
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| Structure |
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| Formula |
C11H11N3O4
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| Molecular Weight |
249.226
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| Canonical SMILES |
Oc1cccc(CCn2nc(O)c(=O)[nH]c2=O)c1
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| InChI |
InChI=1S/C11H11N3O4/c15-8-3-1-2-7(6-8)4-5-14-11(18)12-9(16)10(17)13-14/h1-3,6,15H,4-5H2,(H,13,17)(H,12,16,18)
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| InChIKey |
KSJRGIGUGWMMBD-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