General Information of the Compound
| Compound ID |
CP0448581
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| Compound Name |
(2S,3S,4R)-4-Benzo[1,3]dioxol-5-yl-2-(4-methoxy-phenyl)-1-(2-phenoxy-ethyl)-pyrrolidine-3-carboxylic acid
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| Structure |
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| Formula |
C27H27NO6
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| Molecular Weight |
461.514
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| Canonical SMILES |
COc1ccc(cc1)[C@@H]1[C@H]([C@@H](CN1CCOc1ccccc1)c1ccc2OCOc2c1)C(O)=O
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| InChI |
InChI=1S/C27H27NO6/c1-31-20-10-7-18(8-11-20)26-25(27(29)30)22(19-9-12-23-24(15-19)34-17-33-23)16-28(26)13-14-32-21-5-3-2-4-6-21/h2-12,15,22,25-26H,13-14,16-17H2,1H3,(H,29,30)/t22-,25-,26+/m0/s1
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| InChIKey |
BOCLUXAWCZGFFW-UCGXPXSYSA-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