General Information of the Compound
| Compound ID |
CP0521900
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| Compound Name |
1-(5-(benzyloxy)-2-(2-hydroxy-3-(piperidin-1-yl)propoxy)phenyl)-3-phenylpropan-1-one
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| Structure |
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| Formula |
C30H35NO4
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| Molecular Weight |
473.613
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| Canonical SMILES |
OC(COc1ccc(OCc2ccccc2)cc1C(=O)CCc1ccccc1)CN1CCCCC1
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| InChI |
InChI=1S/C30H35NO4/c32-26(21-31-18-8-3-9-19-31)23-35-30-17-15-27(34-22-25-12-6-2-7-13-25)20-28(30)29(33)16-14-24-10-4-1-5-11-24/h1-2,4-7,10-13,15,17,20,26,32H,3,8-9,14,16,18-19,21-23H2
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| InChIKey |
YRJZDYAKHCFJLP-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