General Information of the Compound
| Compound ID |
CP0440445
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| Compound Name |
3-(Hydroxy-methyl-amino)-1-[4-(pyridin-2-ylmethoxy)-phenyl]-propenone
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| Structure |
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| Formula |
C16H16N2O3
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| Molecular Weight |
284.315
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| Canonical SMILES |
CN(O)\C=C/C(=O)c1ccc(OCc2ccccn2)cc1
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| InChI |
InChI=1S/C16H16N2O3/c1-18(20)11-9-16(19)13-5-7-15(8-6-13)21-12-14-4-2-3-10-17-14/h2-11,20H,12H2,1H3/b11-9-
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| InChIKey |
BMKXEQCGWXODSO-LUAWRHEFSA-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