General Information of the Compound
| Compound ID |
CP0439469
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| Compound Name |
(1-Butylpiperidin-4-yl)methyl 4-Amino-3-(fluoromethoxy)-benzoate
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| Structure |
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| Formula |
C18H27FN2O3
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| Molecular Weight |
338.423
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| Canonical SMILES |
CCCCN1CCC(COC(=O)c2ccc(N)c(OCF)c2)CC1
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| InChI |
InChI=1S/C18H27FN2O3/c1-2-3-8-21-9-6-14(7-10-21)12-23-18(22)15-4-5-16(20)17(11-15)24-13-19/h4-5,11,14H,2-3,6-10,12-13,20H2,1H3
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| InChIKey |
BVDPGNIRFHUQHL-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