General Information of the Compound
| Compound ID |
CP0870326
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| Compound Name |
1-[2-[(2R)-2-hydroxy-3-piperidin-1-ylpropoxy]-4-methoxyphenyl]-3-phenylpropan-1-one
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| Structure |
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| Formula |
C24H31NO4
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| Molecular Weight |
397.515
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| Canonical SMILES |
COc1ccc(C(=O)CCc2ccccc2)c(OC[C@H](O)CN2CCCCC2)c1
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| InChI |
InChI=1S/C24H31NO4/c1-28-21-11-12-22(23(27)13-10-19-8-4-2-5-9-19)24(16-21)29-18-20(26)17-25-14-6-3-7-15-25/h2,4-5,8-9,11-12,16,20,26H,3,6-7,10,13-15,17-18H2,1H3/t20-/m1/s1
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| InChIKey |
UCBYMVHHWYVRKB-HXUWFJFHSA-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