General Information of the Compound
| Compound ID |
CP0424586
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| Compound Name |
1-(3-Chloro-phenyl)-4-hydroxy-5-methyl-[1,2,4]triazinan-3-one
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| Structure |
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| Formula |
C10H12ClN3O2
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| Molecular Weight |
241.678
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| Canonical SMILES |
CC1CN(NC(=O)N1O)c1cccc(Cl)c1
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| InChI |
InChI=1S/C10H12ClN3O2/c1-7-6-13(12-10(15)14(7)16)9-4-2-3-8(11)5-9/h2-5,7,16H,6H2,1H3,(H,12,15)
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| InChIKey |
VMARBRMWTHNTOV-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