General Information of the Compound
| Compound ID |
CP0888658
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| Compound Name |
1-[3-[(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)c1cccc(OC[C@H](O)CN2CCCCC2)c1
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| InChI |
InChI=1S/C23H29NO3/c25-21(17-24-14-5-2-6-15-24)18-27-22-11-7-10-20(16-22)23(26)13-12-19-8-3-1-4-9-19/h1,3-4,7-11,16,21,25H,2,5-6,12-15,17-18H2/t21-/m1/s1
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| InChIKey |
HIWSPAOYMSSPJM-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