General Information of the Compound
| Compound ID |
CP0293088
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| Compound Name |
N-[1-[(3,5-diethoxy-4-phenylphenyl)methyl]piperidin-4-yl]-5-methylpyridine-3-carboxamide
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| Structure |
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| Formula |
C29H35N3O3
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| Molecular Weight |
473.617
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| Canonical SMILES |
CCOc1cc(CN2CCC(CC2)NC(=O)c2cncc(C)c2)cc(OCC)c1-c1ccccc1
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| InChI |
InChI=1S/C29H35N3O3/c1-4-34-26-16-22(17-27(35-5-2)28(26)23-9-7-6-8-10-23)20-32-13-11-25(12-14-32)31-29(33)24-15-21(3)18-30-19-24/h6-10,15-19,25H,4-5,11-14,20H2,1-3H3,(H,31,33)
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| InChIKey |
NCVQBIQQTNMSSG-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