General Information of the Compound
| Compound ID |
CP0394086
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| Compound Name |
(2E,4E)-5-(1,3-benzodioxol-5-yl)-2-(piperidine-1-carbonyl)penta-2,4-dienenitrile
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| Structure |
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| Formula |
C18H18N2O3
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| Molecular Weight |
310.353
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| Canonical SMILES |
O=C(N1CCCCC1)C(=C\C=C\c1ccc2OCOc2c1)\C#N
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| InChI |
InChI=1S/C18H18N2O3/c19-12-15(18(21)20-9-2-1-3-10-20)6-4-5-14-7-8-16-17(11-14)23-13-22-16/h4-8,11H,1-3,9-10,13H2/b5-4+,15-6+
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| InChIKey |
RJHXVSJWHHQHNK-VCXFDYNHSA-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