General Information of the Compound
| Compound ID |
CP0484300
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| Compound Name |
(E)-3-cyclohexyl-2-phenyl-N-[1-(3-pyridin-3-ylpropanoyl)piperidin-4-yl]prop-2-enamide
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| Structure |
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| Formula |
C28H35N3O2
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| Molecular Weight |
445.607
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| Canonical SMILES |
O=C(CCc1cccnc1)N1CCC(CC1)NC(=O)C(=C\C1CCCCC1)\c1ccccc1
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| InChI |
InChI=1S/C28H35N3O2/c32-27(14-13-23-10-7-17-29-21-23)31-18-15-25(16-19-31)30-28(33)26(24-11-5-2-6-12-24)20-22-8-3-1-4-9-22/h2,5-7,10-12,17,20-22,25H,1,3-4,8-9,13-16,18-19H2,(H,30,33)/b26-20+
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| InChIKey |
CQJHTWQUBNDJEJ-LHLOQNFPSA-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