General Information of the Compound
| Compound ID |
CP0279978
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| Compound Name |
(3R,4S)-4-[2-[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]ethyl]-1-phenoxycarbonylpyrrolidine-3-carboxylic acid
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| Structure |
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| Formula |
C32H32N2O6
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| Molecular Weight |
540.616
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| Canonical SMILES |
Cc1oc(nc1CCOc1cccc(CC[C@@H]2CN(C[C@@H]2C(O)=O)C(=O)Oc2ccccc2)c1)-c1ccccc1
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| InChI |
InChI=1S/C32H32N2O6/c1-22-29(33-30(39-22)24-10-4-2-5-11-24)17-18-38-27-14-8-9-23(19-27)15-16-25-20-34(21-28(25)31(35)36)32(37)40-26-12-6-3-7-13-26/h2-14,19,25,28H,15-18,20-21H2,1H3,(H,35,36)/t25-,28+/m1/s1
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| InChIKey |
PWZFOKWHYLVOCW-NAKRPHOHSA-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