General Information of the Compound
| Compound ID |
CP0508597
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| Compound Name |
(E)-3-(3-tert-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 |
CC(C)(C)c1cccc(\C=C\C(=O)Nc2ccc3OCCOc3c2)c1
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| InChI |
InChI=1S/C21H23NO3/c1-21(2,3)16-6-4-5-15(13-16)7-10-20(23)22-17-8-9-18-19(14-17)25-12-11-24-18/h4-10,13-14H,11-12H2,1-3H3,(H,22,23)/b10-7+
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| InChIKey |
BNTHTVQXXJQXKB-JXMROGBWSA-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