General Information of the Compound
| Compound ID |
CP0578240
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| Compound Name |
N-(cyanomethyl)-N-(2-undecoxyethyl)prop-2-enamide
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| Structure |
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| Formula |
C18H32N2O2
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| Molecular Weight |
308.466
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| Canonical SMILES |
CCCCCCCCCCCOCCN(CC#N)C(=O)C=C
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| InChI |
InChI=1S/C18H32N2O2/c1-3-5-6-7-8-9-10-11-12-16-22-17-15-20(14-13-19)18(21)4-2/h4H,2-3,5-12,14-17H2,1H3
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| InChIKey |
HAZNXFIPUPFDGB-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