General Information of the Compound
| Compound ID |
CP0068987
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| Compound Name |
2-[(3R,4S)-1-ethoxycarbonyl-4-[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]pyrrolidin-3-yl]acetic acid
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| Structure |
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| Formula |
C27H30N2O6
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| Molecular Weight |
478.545
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| Canonical SMILES |
CCOC(=O)N1C[C@H](CC(O)=O)[C@H](C1)c1cccc(OCCc2nc(oc2C)-c2ccccc2)c1
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| InChI |
InChI=1S/C27H30N2O6/c1-3-33-27(32)29-16-21(15-25(30)31)23(17-29)20-10-7-11-22(14-20)34-13-12-24-18(2)35-26(28-24)19-8-5-4-6-9-19/h4-11,14,21,23H,3,12-13,15-17H2,1-2H3,(H,30,31)/t21-,23+/m0/s1
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| InChIKey |
ILEXZBDONRTJAW-JTHBVZDNSA-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