General Information of the Compound
| Compound ID |
CP0438246
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| Compound Name |
(1-methylcyclopropyl) 4-[(2R)-1-[[2-(2,3,6-trifluorophenyl)acetyl]amino]propan-2-yl]piperidine-1-carboxylate
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| Structure |
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| Formula |
C21H27F3N2O3
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| Molecular Weight |
412.452
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| Canonical SMILES |
C[C@@H](CNC(=O)Cc1c(F)ccc(F)c1F)C1CCN(CC1)C(=O)OC1(C)CC1
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| InChI |
InChI=1S/C21H27F3N2O3/c1-13(12-25-18(27)11-15-16(22)3-4-17(23)19(15)24)14-5-9-26(10-6-14)20(28)29-21(2)7-8-21/h3-4,13-14H,5-12H2,1-2H3,(H,25,27)/t13-/m0/s1
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| InChIKey |
LMTLIYJZXZJSGM-ZDUSSCGKSA-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