General Information of the Compound
| Compound ID |
CP0856349
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| Compound Name |
1-[4-[(2R)-2-hydroxy-3-piperidin-1-ylpropoxy]phenyl]-3-phenylpropan-1-one
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| Structure |
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| Formula |
C23H29NO3
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| Molecular Weight |
367.489
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| Canonical SMILES |
O=C(CCc1ccccc1)c1ccc(OC[C@H](O)CN2CCCCC2)cc1
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| InChI |
InChI=1S/C23H29NO3/c25-21(17-24-15-5-2-6-16-24)18-27-22-12-10-20(11-13-22)23(26)14-9-19-7-3-1-4-8-19/h1,3-4,7-8,10-13,21,25H,2,5-6,9,14-18H2/t21-/m1/s1
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| InChIKey |
IHCSOZZNVAFSOX-OAQYLSRUSA-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