General Information of the Compound
| Compound ID |
CP0374753
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| Compound Name |
(2S,3S,4R)-4-Benzo[1,3]dioxol-5-yl-1-[2-(4-fluoro-phenoxy)-acetyl]-2-(4-methoxy-phenyl)-pyrrolidine-3-carboxylic acid
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| Structure |
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| Formula |
C27H24FNO7
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| Molecular Weight |
493.487
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| Canonical SMILES |
COc1ccc(cc1)[C@@H]1[C@H]([C@@H](CN1C(=O)COc1ccc(F)cc1)c1ccc2OCOc2c1)C(O)=O
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| InChI |
InChI=1S/C27H24FNO7/c1-33-19-7-2-16(3-8-19)26-25(27(31)32)21(17-4-11-22-23(12-17)36-15-35-22)13-29(26)24(30)14-34-20-9-5-18(28)6-10-20/h2-12,21,25-26H,13-15H2,1H3,(H,31,32)/t21-,25-,26+/m0/s1
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| InChIKey |
VXWUBAFTLFMMAC-OUIFVKKZSA-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