General Information of the Compound
| Compound ID |
CP0438283
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| Compound Name |
1-methylcyclopropyl 4-(2-(2-(2,3,6-trifluorophenyl)acetamido)ethyl)piperidine-1-carboxylate
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| Structure |
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| Formula |
C20H25F3N2O3
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| Molecular Weight |
398.425
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| Canonical SMILES |
CC1(CC1)OC(=O)N1CCC(CCNC(=O)Cc2c(F)ccc(F)c2F)CC1
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| InChI |
InChI=1S/C20H25F3N2O3/c1-20(7-8-20)28-19(27)25-10-5-13(6-11-25)4-9-24-17(26)12-14-15(21)2-3-16(22)18(14)23/h2-3,13H,4-12H2,1H3,(H,24,26)
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| InChIKey |
YDGHOGGGBJJRPT-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