General Information of the Compound
| Compound ID |
CP0441887
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| Compound Name |
3,3-Bis-(4-tert-butyl-phenyl)-N-(2,3-dihydro-benzo[1,4]dioxin-6-yl)-acrylamide
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| Structure |
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| Formula |
C31H35NO3
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| Molecular Weight |
469.625
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| Canonical SMILES |
CC(C)(C)c1ccc(cc1)C(=CC(=O)Nc1ccc2OCCOc2c1)c1ccc(cc1)C(C)(C)C
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| InChI |
InChI=1S/C31H35NO3/c1-30(2,3)23-11-7-21(8-12-23)26(22-9-13-24(14-10-22)31(4,5)6)20-29(33)32-25-15-16-27-28(19-25)35-18-17-34-27/h7-16,19-20H,17-18H2,1-6H3,(H,32,33)
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| InChIKey |
IBIXUOFCPOFOAC-UHFFFAOYSA-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