General Information of the Compound
| Compound ID |
CP0424266
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| Compound Name |
1-(3-Benzyloxy-phenyl)-[1,2,4]triazinan-3-one
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| Structure |
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| Formula |
C16H17N3O2
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| Molecular Weight |
283.331
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| Canonical SMILES |
O=C1NCCN(N1)c1cccc(OCc2ccccc2)c1
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| InChI |
InChI=1S/C16H17N3O2/c20-16-17-9-10-19(18-16)14-7-4-8-15(11-14)21-12-13-5-2-1-3-6-13/h1-8,11H,9-10,12H2,(H2,17,18,20)
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| InChIKey |
QBNPKBSDIQFROU-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