General Information of the Compound
| Compound ID |
CP0069347
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| Compound Name |
(3R,4S)-1-ethoxycarbonyl-4-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]pyrrolidine-3-carboxylic acid
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| Structure |
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| Formula |
C26H28N2O6
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| Molecular Weight |
464.518
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| Canonical SMILES |
CCOC(=O)N1C[C@@H]([C@H](C1)c1ccc(OCCc2nc(oc2C)-c2ccccc2)cc1)C(O)=O
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| InChI |
InChI=1S/C26H28N2O6/c1-3-32-26(31)28-15-21(22(16-28)25(29)30)18-9-11-20(12-10-18)33-14-13-23-17(2)34-24(27-23)19-7-5-4-6-8-19/h4-12,21-22H,3,13-16H2,1-2H3,(H,29,30)/t21-,22+/m1/s1
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| InChIKey |
SMNNNMPJTRFTQR-YADHBBJMSA-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