General Information of the Compound
| Compound ID |
CP0410063
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| Compound Name |
(2S,3S,4R)-4-Benzo[1,3]dioxol-5-yl-2-(4-methoxy-phenyl)-1-(morpholine-4-carbonyl)-pyrrolidine-3-carboxylic acid
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| Structure |
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| Formula |
C24H26N2O7
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| Molecular Weight |
454.479
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| Canonical SMILES |
COc1ccc(cc1)[C@@H]1[C@H]([C@@H](CN1C(=O)N1CCOCC1)c1ccc2OCOc2c1)C(O)=O
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| InChI |
InChI=1S/C24H26N2O7/c1-30-17-5-2-15(3-6-17)22-21(23(27)28)18(16-4-7-19-20(12-16)33-14-32-19)13-26(22)24(29)25-8-10-31-11-9-25/h2-7,12,18,21-22H,8-11,13-14H2,1H3,(H,27,28)/t18-,21-,22+/m0/s1
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| InChIKey |
ZAVWDIYWNVRBJM-YUXAGFNASA-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