General Information of the Compound
| Compound ID |
CP0539796
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| Compound Name |
(2S,3S,4R)-4-Benzo[1,3]dioxol-5-yl-1-(furan-2-carbonyl)-2-(4-methoxy-phenyl)-pyrrolidine-3-carboxylic acid
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| Structure |
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| Formula |
C24H21NO7
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| Molecular Weight |
435.432
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| Canonical SMILES |
COc1ccc(cc1)[C@@H]1[C@H]([C@@H](CN1C(=O)c1ccco1)c1ccc2OCOc2c1)C(O)=O
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| InChI |
InChI=1S/C24H21NO7/c1-29-16-7-4-14(5-8-16)22-21(24(27)28)17(12-25(22)23(26)19-3-2-10-30-19)15-6-9-18-20(11-15)32-13-31-18/h2-11,17,21-22H,12-13H2,1H3,(H,27,28)/t17-,21-,22+/m0/s1
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| InChIKey |
PWNGGMWHTATATP-BULFRSBZSA-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