General Information of the Compound
| Compound ID |
CP0430922
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| Compound Name |
1-[4-(4-Pyridin-3-ylphenylcarbamoyl)butyl]piperidine-3-carboxylic acid diethylamide
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| Structure |
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| Formula |
C26H36N4O2
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| Molecular Weight |
436.6
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| Canonical SMILES |
CCN(CC)C(=O)C1CCCN(CCCCC(=O)Nc2ccc(cc2)-c2cccnc2)C1
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| InChI |
InChI=1S/C26H36N4O2/c1-3-30(4-2)26(32)23-10-8-18-29(20-23)17-6-5-11-25(31)28-24-14-12-21(13-15-24)22-9-7-16-27-19-22/h7,9,12-16,19,23H,3-6,8,10-11,17-18,20H2,1-2H3,(H,28,31)
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| InChIKey |
AOOVQLHGLQHWGN-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