General Information of the Compound
| Compound ID |
CP0502256
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| Compound Name |
(E)-N-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-3-(4-nitro-phenyl)-acrylamide
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| Structure |
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| Formula |
C17H14N2O5
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| Molecular Weight |
326.308
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| Canonical SMILES |
[O-][N+](=O)c1ccc(\C=C\C(=O)Nc2ccc3OCCOc3c2)cc1
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| InChI |
InChI=1S/C17H14N2O5/c20-17(8-3-12-1-5-14(6-2-12)19(21)22)18-13-4-7-15-16(11-13)24-10-9-23-15/h1-8,11H,9-10H2,(H,18,20)/b8-3+
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| InChIKey |
LKWLSWRZAHNXEC-FPYGCLRLSA-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