General Information of the Compound
| Compound ID |
CP0063974
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| Compound Name |
(3R,4S)-1-ethoxycarbonyl-4-[2-[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]ethyl]pyrrolidine-3-carboxylic acid
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| Structure |
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| Formula |
C28H32N2O6
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| Molecular Weight |
492.572
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| Canonical SMILES |
CCOC(=O)N1C[C@@H](CCc2cccc(OCCc3nc(oc3C)-c3ccccc3)c2)[C@H](C1)C(O)=O
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| InChI |
InChI=1S/C28H32N2O6/c1-3-34-28(33)30-17-22(24(18-30)27(31)32)13-12-20-8-7-11-23(16-20)35-15-14-25-19(2)36-26(29-25)21-9-5-4-6-10-21/h4-11,16,22,24H,3,12-15,17-18H2,1-2H3,(H,31,32)/t22-,24+/m1/s1
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| InChIKey |
ZCDDXVDJBPSVFN-VWNXMTODSA-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