General Information of the Compound
| Compound ID |
CP0418839
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| Compound Name |
5-Hydroxymethyl-1-phenyl-[1,2,4]triazinan-3-one
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| Structure |
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| Formula |
C10H13N3O2
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| Molecular Weight |
207.233
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| Canonical SMILES |
OCC1CN(NC(=O)N1)c1ccccc1
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| InChI |
InChI=1S/C10H13N3O2/c14-7-8-6-13(12-10(15)11-8)9-4-2-1-3-5-9/h1-5,8,14H,6-7H2,(H2,11,12,15)
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| InChIKey |
KWGIXVFJNNHVHD-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