General Information of the Compound
| Compound ID |
CP0068984
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| Compound Name |
2-[(3R,4R)-4-[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]-1-phenoxycarbonylpyrrolidin-3-yl]acetic acid
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| Structure |
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| Formula |
C31H30N2O6
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| Molecular Weight |
526.589
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| Canonical SMILES |
Cc1oc(nc1CCOc1cccc(c1)[C@@H]1CN(C[C@@H]1CC(O)=O)C(=O)Oc1ccccc1)-c1ccccc1
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| InChI |
InChI=1S/C31H30N2O6/c1-21-28(32-30(38-21)22-9-4-2-5-10-22)15-16-37-26-14-8-11-23(17-26)27-20-33(19-24(27)18-29(34)35)31(36)39-25-12-6-3-7-13-25/h2-14,17,24,27H,15-16,18-20H2,1H3,(H,34,35)/t24-,27-/m0/s1
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| InChIKey |
VXSVTNCTNBQEQS-IGKIAQTJSA-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