General Information of the Compound
| Compound ID |
CP0417112
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| Compound Name |
(2S,5S)-1-(4-methoxyphenoxy)carbonyl-5-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]pyrrolidine-2-carboxylic acid
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| Structure |
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| Formula |
C31H30N2O7
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| Molecular Weight |
542.588
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| Canonical SMILES |
COc1ccc(OC(=O)N2[C@@H](CC[C@H]2c2ccc(OCCc3nc(oc3C)-c3ccccc3)cc2)C(O)=O)cc1
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| InChI |
InChI=1S/C31H30N2O7/c1-20-26(32-29(39-20)22-6-4-3-5-7-22)18-19-38-24-10-8-21(9-11-24)27-16-17-28(30(34)35)33(27)31(36)40-25-14-12-23(37-2)13-15-25/h3-15,27-28H,16-19H2,1-2H3,(H,34,35)/t27-,28-/m0/s1
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| InChIKey |
OWBQRSFTGMYFME-NSOVKSMOSA-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