General Information of the Compound
| Compound ID |
CP0388588
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| Compound Name |
4-(2-ethylbutyl)-N-[3-(4-fluorophenoxy)-5-methylphenyl]-4-hydroxypiperidine-1-carboxamide
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| Structure |
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| Formula |
C25H33FN2O3
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| Molecular Weight |
428.548
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| Canonical SMILES |
CCC(CC)CC1(O)CCN(CC1)C(=O)Nc1cc(C)cc(Oc2ccc(F)cc2)c1
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| InChI |
InChI=1S/C25H33FN2O3/c1-4-19(5-2)17-25(30)10-12-28(13-11-25)24(29)27-21-14-18(3)15-23(16-21)31-22-8-6-20(26)7-9-22/h6-9,14-16,19,30H,4-5,10-13,17H2,1-3H3,(H,27,29)
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| InChIKey |
CKKDVWOWAWTQRP-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