General Information of the Compound
| Compound ID |
CP0294861
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| Compound Name |
N-[1-[(3,5-diethoxy-4-phenylphenyl)methyl]piperidin-4-yl]-6-(methylamino)pyridine-3-carboxamide
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| Structure |
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| Formula |
C29H36N4O3
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| Molecular Weight |
488.632
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| Canonical SMILES |
CCOc1cc(CN2CCC(CC2)NC(=O)c2ccc(NC)nc2)cc(OCC)c1-c1ccccc1
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| InChI |
InChI=1S/C29H36N4O3/c1-4-35-25-17-21(18-26(36-5-2)28(25)22-9-7-6-8-10-22)20-33-15-13-24(14-16-33)32-29(34)23-11-12-27(30-3)31-19-23/h6-12,17-19,24H,4-5,13-16,20H2,1-3H3,(H,30,31)(H,32,34)
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| InChIKey |
WXIPBSOPCYLJTO-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