General Information of the Compound
| Compound ID |
CP0495138
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| Compound Name |
1-(4-Benzyloxy-phenyl)-3-(hydroxy-methyl-amino)-propenone
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| Structure |
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| Formula |
C17H17NO3
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| Molecular Weight |
283.327
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| Canonical SMILES |
CN(O)\C=C/C(=O)c1ccc(OCc2ccccc2)cc1
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| InChI |
InChI=1S/C17H17NO3/c1-18(20)12-11-17(19)15-7-9-16(10-8-15)21-13-14-5-3-2-4-6-14/h2-12,20H,13H2,1H3/b12-11-
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| InChIKey |
NPTNJRZYXKLPAA-QXMHVHEDSA-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