General Information of the Compound
| Compound ID |
CP0535308
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| Compound Name |
1-(4-Benzyloxy-phenyl)-3-(hydroxy-methyl-amino)-2-methyl-propenone
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| Structure |
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| Formula |
C18H19NO3
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| Molecular Weight |
297.354
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| Canonical SMILES |
CN(O)\C=C(\C)C(=O)c1ccc(OCc2ccccc2)cc1
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| InChI |
InChI=1S/C18H19NO3/c1-14(12-19(2)21)18(20)16-8-10-17(11-9-16)22-13-15-6-4-3-5-7-15/h3-12,21H,13H2,1-2H3/b14-12-
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| InChIKey |
VOQPQTCXPBXJFA-OWBHPGMISA-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