General Information of the Compound
| Compound ID |
CP0482042
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| Compound Name |
N-[(E)-2-methyl-3-phenylprop-2-enyl]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
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| Structure |
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| Formula |
C26H32N2O3
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| Molecular Weight |
420.553
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| Canonical SMILES |
CN1CCCC1CCN(C\C(C)=C\c1ccccc1)C(=O)c1ccc2OCCOc2c1
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| InChI |
InChI=1S/C26H32N2O3/c1-20(17-21-7-4-3-5-8-21)19-28(14-12-23-9-6-13-27(23)2)26(29)22-10-11-24-25(18-22)31-16-15-30-24/h3-5,7-8,10-11,17-18,23H,6,9,12-16,19H2,1-2H3/b20-17+
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| InChIKey |
GTCPVFWDKLPXPL-LVZFUZTISA-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