General Information of the Compound
| Compound ID |
CP0398023
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| Compound Name |
(2S,3S,4R)-4-Benzo[1,3]dioxol-5-yl-1-(4-fluoro-benzyl)-2-(4-methoxy-phenyl)-pyrrolidine-3-carboxylic acid
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| Structure |
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| Formula |
C26H24FNO5
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| Molecular Weight |
449.478
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| Canonical SMILES |
COc1ccc(cc1)[C@@H]1[C@H]([C@@H](CN1Cc1ccc(F)cc1)c1ccc2OCOc2c1)C(O)=O
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| InChI |
InChI=1S/C26H24FNO5/c1-31-20-9-4-17(5-10-20)25-24(26(29)30)21(18-6-11-22-23(12-18)33-15-32-22)14-28(25)13-16-2-7-19(27)8-3-16/h2-12,21,24-25H,13-15H2,1H3,(H,29,30)/t21-,24-,25+/m0/s1
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| InChIKey |
FYBWTVIWGXJCAT-GVXSCFBNSA-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