General Information of the Compound
| Compound ID |
CP0535410
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| Compound Name |
4-(2-ethylbutyl)-4-hydroxy-N-[3-(3-methylphenoxy)phenyl]piperidine-1-carboxamide
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| Structure |
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| Formula |
C25H34N2O3
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| Molecular Weight |
410.558
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| Canonical SMILES |
CCC(CC)CC1(O)CCN(CC1)C(=O)Nc1cccc(Oc2cccc(C)c2)c1
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| InChI |
InChI=1S/C25H34N2O3/c1-4-20(5-2)18-25(29)12-14-27(15-13-25)24(28)26-21-9-7-11-23(17-21)30-22-10-6-8-19(3)16-22/h6-11,16-17,20,29H,4-5,12-15,18H2,1-3H3,(H,26,28)
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| InChIKey |
NUXJWDXFRKASNI-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