General Information of the Compound
| Compound ID |
CP0473483
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| Compound Name |
2-(3-methylbutyl)-1,2,4-triazinane-3,5,6-trione
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| Structure |
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| Formula |
C8H13N3O3
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| Molecular Weight |
199.21
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| Canonical SMILES |
CC(C)CCn1nc(O)c(=O)[nH]c1=O
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| InChI |
InChI=1S/C8H13N3O3/c1-5(2)3-4-11-8(14)9-6(12)7(13)10-11/h5H,3-4H2,1-2H3,(H,10,13)(H,9,12,14)
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| InChIKey |
WZZUHRYNAALOOE-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