General Information of the Compound
| Compound ID |
CP0105231
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| Compound Name |
N-[1-[(3,5-diethoxy-4-fluorophenyl)methyl]piperidin-4-yl]-6-(propan-2-ylamino)pyridine-3-carboxamide
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| Structure |
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| Formula |
C25H35FN4O3
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| Molecular Weight |
458.578
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| Canonical SMILES |
CCOc1cc(CN2CCC(CC2)NC(=O)c2ccc(NC(C)C)nc2)cc(OCC)c1F
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| InChI |
InChI=1S/C25H35FN4O3/c1-5-32-21-13-18(14-22(24(21)26)33-6-2)16-30-11-9-20(10-12-30)29-25(31)19-7-8-23(27-15-19)28-17(3)4/h7-8,13-15,17,20H,5-6,9-12,16H2,1-4H3,(H,27,28)(H,29,31)
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| InChIKey |
YTAVDPJGDIZDSB-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