General Information of the Compound
| Compound ID |
CP0392671
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| Compound Name |
N-[3-[(Z)-2-(1,3-benzodioxol-5-yl)-2-cyanoethenyl]-4-methylphenyl]-3-cyclohexylpropanamide
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| Structure |
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| Formula |
C26H28N2O3
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| Molecular Weight |
416.521
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| Canonical SMILES |
Cc1ccc(NC(=O)CCC2CCCCC2)cc1\C=C(/C#N)c1ccc2OCOc2c1
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| InChI |
InChI=1S/C26H28N2O3/c1-18-7-10-23(28-26(29)12-8-19-5-3-2-4-6-19)14-21(18)13-22(16-27)20-9-11-24-25(15-20)31-17-30-24/h7,9-11,13-15,19H,2-6,8,12,17H2,1H3,(H,28,29)/b22-13+
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| InChIKey |
XNVQDLQCRAIBMQ-LPYMAVHISA-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