General Information of the Compound
| Compound ID |
CP0449627
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| Compound Name |
1-(4-Benzyl-piperidin-1-yl)-3-(4-nitro-phenoxy)-propan-2-ol
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| Structure |
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| Formula |
C21H26N2O4
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| Molecular Weight |
370.449
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| Canonical SMILES |
OC(COc1ccc(cc1)[N+]([O-])=O)CN1CCC(Cc2ccccc2)CC1
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| InChI |
InChI=1S/C21H26N2O4/c24-20(16-27-21-8-6-19(7-9-21)23(25)26)15-22-12-10-18(11-13-22)14-17-4-2-1-3-5-17/h1-9,18,20,24H,10-16H2
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| InChIKey |
KUJZUFLOGCHURG-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