General Information of the Compound
| Compound ID |
CP0488134
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| Compound Name |
1-(3-Ethyl-phenyl)-[1,2,4]triazinan-3-one
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| Structure |
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| Formula |
C11H15N3O
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| Molecular Weight |
205.261
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| Canonical SMILES |
CCc1cccc(c1)N1CCNC(=O)N1
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| InChI |
InChI=1S/C11H15N3O/c1-2-9-4-3-5-10(8-9)14-7-6-12-11(15)13-14/h3-5,8H,2,6-7H2,1H3,(H2,12,13,15)
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| InChIKey |
NCSKYDATTOPVJU-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