General Information of the Compound
| Compound ID |
CP0515229
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| Compound Name |
3-(benzo[d][1,3]dioxol-5-yl)-N-(2-(2,3-dihydrobenzo[b][1,4]dioxin-6-ylamino)-2-oxo-1-p-tolylethyl)-N-methylacrylamide
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| Structure |
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| Formula |
C28H26N2O6
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| Molecular Weight |
486.524
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| Canonical SMILES |
CN(C(C(=O)Nc1ccc2OCCOc2c1)c1ccc(C)cc1)C(=O)\C=C/c1ccc2OCOc2c1
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| InChI |
InChI=1S/C28H26N2O6/c1-18-3-7-20(8-4-18)27(28(32)29-21-9-11-22-25(16-21)34-14-13-33-22)30(2)26(31)12-6-19-5-10-23-24(15-19)36-17-35-23/h3-12,15-16,27H,13-14,17H2,1-2H3,(H,29,32)/b12-6-
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| InChIKey |
FJDSRDGJLCIQEZ-SDQBBNPISA-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