General Information of the Compound
| Compound ID |
CP0430571
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| Compound Name |
(2S,3S,4R)-4-Benzo[1,3]dioxol-5-yl-1-[(2-methoxy-ethylcarbamoyl)-methyl]-2-(4-methoxy-phenyl)-pyrrolidine-3-carboxylic acid
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| Structure |
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| Formula |
C24H28N2O7
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| Molecular Weight |
456.495
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| Canonical SMILES |
COCCNC(=O)CN1C[C@H]([C@@H]([C@H]1c1ccc(OC)cc1)C(O)=O)c1ccc2OCOc2c1
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| InChI |
InChI=1S/C24H28N2O7/c1-30-10-9-25-21(27)13-26-12-18(16-5-8-19-20(11-16)33-14-32-19)22(24(28)29)23(26)15-3-6-17(31-2)7-4-15/h3-8,11,18,22-23H,9-10,12-14H2,1-2H3,(H,25,27)(H,28,29)/t18-,22-,23+/m0/s1
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| InChIKey |
YTEXYPQGEXYVTK-OFAXGOBFSA-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