General Information of the Compound
| Compound ID |
CP0104467
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| Compound Name |
N-[1-[(3-ethoxy-4-methylphenyl)methyl]piperidin-4-yl]-5-methylpyridine-3-carboxamide
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| Structure |
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| Formula |
C22H29N3O2
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| Molecular Weight |
367.493
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| Canonical SMILES |
CCOc1cc(CN2CCC(CC2)NC(=O)c2cncc(C)c2)ccc1C
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| InChI |
InChI=1S/C22H29N3O2/c1-4-27-21-12-18(6-5-17(21)3)15-25-9-7-20(8-10-25)24-22(26)19-11-16(2)13-23-14-19/h5-6,11-14,20H,4,7-10,15H2,1-3H3,(H,24,26)
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| InChIKey |
HKWFGRSZAYZTSU-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