General Information of the Compound
| Compound ID |
CP0053195
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| Compound Name |
(3R,4R)-4-[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]-1-phenoxycarbonylpyrrolidine-3-carboxylic acid
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| Structure |
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| Formula |
C30H28N2O6
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| Molecular Weight |
512.562
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| Canonical SMILES |
Cc1oc(nc1CCOc1cccc(c1)[C@@H]1CN(C[C@@H]1C(O)=O)C(=O)Oc1ccccc1)-c1ccccc1
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| InChI |
InChI=1S/C30H28N2O6/c1-20-27(31-28(37-20)21-9-4-2-5-10-21)15-16-36-24-14-8-11-22(17-24)25-18-32(19-26(25)29(33)34)30(35)38-23-12-6-3-7-13-23/h2-14,17,25-26H,15-16,18-19H2,1H3,(H,33,34)/t25-,26-/m0/s1
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| InChIKey |
NCJNMSWTPZOPDJ-UIOOFZCWSA-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