General Information of the Compound
| Compound ID |
CP0461564
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| Compound Name |
(E)-3-(4-Butyl-phenyl)-N-(2,3-dihydro-benzo[1,4]dioxin-6-yl)-acrylamide
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| Structure |
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| Formula |
C21H23NO3
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| Molecular Weight |
337.419
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| Canonical SMILES |
CCCCc1ccc(\C=C\C(=O)Nc2ccc3OCCOc3c2)cc1
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| InChI |
InChI=1S/C21H23NO3/c1-2-3-4-16-5-7-17(8-6-16)9-12-21(23)22-18-10-11-19-20(15-18)25-14-13-24-19/h5-12,15H,2-4,13-14H2,1H3,(H,22,23)/b12-9+
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| InChIKey |
OOZQERIPPMVBFT-FMIVXFBMSA-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