General Information of the Compound
| Compound ID |
CP0848196
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| Compound Name |
N-benzyl-N-[(2R)-2-hydroxy-3-[2-(3-phenylpropanoyl)phenoxy]propyl]propanamide
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| Structure |
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| Formula |
C28H31NO4
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| Molecular Weight |
445.559
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| Canonical SMILES |
CCC(=O)N(Cc1ccccc1)C[C@@H](O)COc1ccccc1C(=O)CCc1ccccc1
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| InChI |
InChI=1S/C28H31NO4/c1-2-28(32)29(19-23-13-7-4-8-14-23)20-24(30)21-33-27-16-10-9-15-25(27)26(31)18-17-22-11-5-3-6-12-22/h3-16,24,30H,2,17-21H2,1H3/t24-/m1/s1
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| InChIKey |
IIYNHMGEDICQTE-XMMPIXPASA-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