General Information of the Compound
| Compound ID |
CP0464993
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| Compound Name |
(2S,3S,4R)-4-Benzo[1,3]dioxol-5-yl-2-(4-methoxy-phenyl)-1-((E)-5-methyl-hex-2-enyl)-pyrrolidine-3-carboxylic acid
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| Structure |
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| Formula |
C26H31NO5
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| Molecular Weight |
437.536
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| Canonical SMILES |
COc1ccc(cc1)[C@@H]1[C@H]([C@@H](CN1C\C=C\CC(C)C)c1ccc2OCOc2c1)C(O)=O
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| InChI |
InChI=1S/C26H31NO5/c1-17(2)6-4-5-13-27-15-21(19-9-12-22-23(14-19)32-16-31-22)24(26(28)29)25(27)18-7-10-20(30-3)11-8-18/h4-5,7-12,14,17,21,24-25H,6,13,15-16H2,1-3H3,(H,28,29)/b5-4+/t21-,24-,25+/m0/s1
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| InChIKey |
KWDUVLWHXLHJDG-ACYMWBFOSA-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