General Information of the Compound
| Compound ID |
CP0293090
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| Compound Name |
N-[1-[[3-ethoxy-4-[4-(trifluoromethyl)phenyl]phenyl]methyl]piperidin-4-yl]-5-methylpyridine-3-carboxamide
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| Structure |
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| Formula |
C28H30F3N3O2
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| Molecular Weight |
497.561
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| Canonical SMILES |
CCOc1cc(CN2CCC(CC2)NC(=O)c2cncc(C)c2)ccc1-c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C28H30F3N3O2/c1-3-36-26-15-20(4-9-25(26)21-5-7-23(8-6-21)28(29,30)31)18-34-12-10-24(11-13-34)33-27(35)22-14-19(2)16-32-17-22/h4-9,14-17,24H,3,10-13,18H2,1-2H3,(H,33,35)
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| InChIKey |
ZYOQAKUMKCVBLE-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