General Information of the Compound
| Compound ID |
CP0414844
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| Compound Name |
(2S,3S,4R)-4-Benzo[1,3]dioxol-5-yl-2-(4-methoxy-phenyl)-1-phenylcarbamoyl-pyrrolidine-3-carboxylic acid
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| Structure |
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| Formula |
C26H24N2O6
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| Molecular Weight |
460.486
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| Canonical SMILES |
COc1ccc(cc1)[C@@H]1[C@H]([C@@H](CN1C(=O)Nc1ccccc1)c1ccc2OCOc2c1)C(O)=O
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| InChI |
InChI=1S/C26H24N2O6/c1-32-19-10-7-16(8-11-19)24-23(25(29)30)20(17-9-12-21-22(13-17)34-15-33-21)14-28(24)26(31)27-18-5-3-2-4-6-18/h2-13,20,23-24H,14-15H2,1H3,(H,27,31)(H,29,30)/t20-,23-,24+/m0/s1
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| InChIKey |
KEBMJEIVAFVSMB-NKKJXINNSA-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