General Information of the Compound
| Compound ID |
CP0118743
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| Compound Name |
2-((3-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)benzyl)(benzyl)amino)acetic acid
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| Structure |
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| Formula |
C28H28N2O4
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| Molecular Weight |
456.542
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| Canonical SMILES |
Cc1oc(nc1CCOc1cccc(CN(CC(O)=O)Cc2ccccc2)c1)-c1ccccc1
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| InChI |
InChI=1S/C28H28N2O4/c1-21-26(29-28(34-21)24-12-6-3-7-13-24)15-16-33-25-14-8-11-23(17-25)19-30(20-27(31)32)18-22-9-4-2-5-10-22/h2-14,17H,15-16,18-20H2,1H3,(H,31,32)
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| InChIKey |
QXVPRNBTJIQOSJ-UHFFFAOYSA-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