General Information of the Compound
| Compound ID |
CP0051709
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| Compound Name |
3-(2-((isopropoxycarbonyl)methyl)-4-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)phenyl)propanoic acid
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| Structure |
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| Formula |
C26H30N2O6
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| Molecular Weight |
466.534
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| Canonical SMILES |
CC(C)OC(=O)NCc1cc(OCCc2nc(oc2C)-c2ccccc2)ccc1CCC(O)=O
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| InChI |
InChI=1S/C26H30N2O6/c1-17(2)33-26(31)27-16-21-15-22(11-9-19(21)10-12-24(29)30)32-14-13-23-18(3)34-25(28-23)20-7-5-4-6-8-20/h4-9,11,15,17H,10,12-14,16H2,1-3H3,(H,27,31)(H,29,30)
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| InChIKey |
QDTHAXJGRDPCSZ-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