General Information of the Compound
| Compound ID |
CP0089773
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| Compound Name |
N-[1-[[3,5-diethoxy-4-[4-(trifluoromethoxy)phenyl]phenyl]methyl]piperidin-4-yl]-5-methylpyridine-3-carboxamide
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| Structure |
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| Formula |
C30H34F3N3O4
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| Molecular Weight |
557.613
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| Canonical SMILES |
CCOc1cc(CN2CCC(CC2)NC(=O)c2cncc(C)c2)cc(OCC)c1-c1ccc(OC(F)(F)F)cc1
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| InChI |
InChI=1S/C30H34F3N3O4/c1-4-38-26-15-21(16-27(39-5-2)28(26)22-6-8-25(9-7-22)40-30(31,32)33)19-36-12-10-24(11-13-36)35-29(37)23-14-20(3)17-34-18-23/h6-9,14-18,24H,4-5,10-13,19H2,1-3H3,(H,35,37)
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| InChIKey |
FKLHVDCNUGKVGO-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