General Information of the Compound
| Compound ID |
CP0530890
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| Compound Name |
2-cyclohexyl-2-(3-methylphenyl)-N-[1-(3-pyridin-3-ylpropanoyl)piperidin-4-yl]acetamide
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| Structure |
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| Formula |
C28H37N3O2
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| Molecular Weight |
447.623
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| Canonical SMILES |
Cc1cccc(c1)C(C1CCCCC1)C(=O)NC1CCN(CC1)C(=O)CCc1cccnc1
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| InChI |
InChI=1S/C28H37N3O2/c1-21-7-5-11-24(19-21)27(23-9-3-2-4-10-23)28(33)30-25-14-17-31(18-15-25)26(32)13-12-22-8-6-16-29-20-22/h5-8,11,16,19-20,23,25,27H,2-4,9-10,12-15,17-18H2,1H3,(H,30,33)
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| InChIKey |
SIWUDWQXNDHPJW-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