General Information of the Compound
| Compound ID |
CP0093166
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| Compound Name |
6-chloro-N-(1-((2,6-diethoxy-4'-fluorobiphenyl-4-yl)methyl)piperidin-4-yl)nicotinamide
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| Structure |
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| Formula |
C28H31ClFN3O3
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| Molecular Weight |
512.025
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| Canonical SMILES |
CCOc1cc(CN2CCC(CC2)NC(=O)c2ccc(Cl)nc2)cc(OCC)c1-c1ccc(F)cc1
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| InChI |
InChI=1S/C28H31ClFN3O3/c1-3-35-24-15-19(16-25(36-4-2)27(24)20-5-8-22(30)9-6-20)18-33-13-11-23(12-14-33)32-28(34)21-7-10-26(29)31-17-21/h5-10,15-17,23H,3-4,11-14,18H2,1-2H3,(H,32,34)
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| InChIKey |
XGRCTAUNWOLIAN-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