General Information of the Compound
| Compound ID |
CP0902347
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| Compound Name |
[(2R)-1-[2-(3-phenylpropanoyl)phenoxy]-3-piperidin-1-ylpropan-2-yl] acetate
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| Structure |
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| Formula |
C25H31NO4
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| Molecular Weight |
409.526
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| Canonical SMILES |
CC(=O)O[C@@H](COc1ccccc1C(=O)CCc1ccccc1)CN1CCCCC1
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| InChI |
InChI=1S/C25H31NO4/c1-20(27)30-22(18-26-16-8-3-9-17-26)19-29-25-13-7-6-12-23(25)24(28)15-14-21-10-4-2-5-11-21/h2,4-7,10-13,22H,3,8-9,14-19H2,1H3/t22-/m1/s1
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| InChIKey |
KYLIMYBWENAMDS-JOCHJYFZSA-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