General Information of the Compound
| Compound ID |
CP0512771
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| Compound Name |
N-[2-ethyl-2-(4-fluorophenyl)butyl]-1-[2-(3-methoxyphenyl)ethyl]piperidine-4-carboxamide
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| Structure |
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| Formula |
C27H37FN2O2
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| Molecular Weight |
440.603
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| Canonical SMILES |
CCC(CC)(CNC(=O)C1CCN(CCc2cccc(OC)c2)CC1)c1ccc(F)cc1
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| InChI |
InChI=1S/C27H37FN2O2/c1-4-27(5-2,23-9-11-24(28)12-10-23)20-29-26(31)22-14-17-30(18-15-22)16-13-21-7-6-8-25(19-21)32-3/h6-12,19,22H,4-5,13-18,20H2,1-3H3,(H,29,31)
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| InChIKey |
DFPXHEPZOCDQRP-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