General Information of the Compound
| Compound ID |
CP0381426
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| Compound Name |
propan-2-yl 4-[1-[[2-(2,3,6-trifluorophenyl)acetyl]amino]propan-2-yl]piperidine-1-carboxylate
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| Structure |
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| Formula |
C20H27F3N2O3
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| Molecular Weight |
400.441
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| Canonical SMILES |
CC(C)OC(=O)N1CCC(CC1)C(C)CNC(=O)Cc1c(F)ccc(F)c1F
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| InChI |
InChI=1S/C20H27F3N2O3/c1-12(2)28-20(27)25-8-6-14(7-9-25)13(3)11-24-18(26)10-15-16(21)4-5-17(22)19(15)23/h4-5,12-14H,6-11H2,1-3H3,(H,24,26)
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| InChIKey |
YOVLZIDAFGCSGF-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