General Information of the Compound
| Compound ID |
CP0523827
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| Compound Name |
(2S,3S,4R)-4-Benzo[1,3]dioxol-5-yl-1-(2-ethanesulfinyl-ethyl)-2-(4-methoxy-phenyl)-pyrrolidine-3-carboxylic acid
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| Structure |
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| Formula |
C23H27NO6S
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| Molecular Weight |
445.537
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| Canonical SMILES |
CCS(=O)CCN1C[C@H]([C@@H]([C@H]1c1ccc(OC)cc1)C(O)=O)c1ccc2OCOc2c1
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| InChI |
InChI=1S/C23H27NO6S/c1-3-31(27)11-10-24-13-18(16-6-9-19-20(12-16)30-14-29-19)21(23(25)26)22(24)15-4-7-17(28-2)8-5-15/h4-9,12,18,21-22H,3,10-11,13-14H2,1-2H3,(H,25,26)/t18-,21-,22+,31?/m0/s1
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| InChIKey |
QEYLNCFKHHSXKD-AIXFWYKWSA-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