General Information of the Compound
| Compound ID |
CP0386116
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| Compound Name |
2-(hexyloxy)-3-(4-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)benzo[b]thiophen-7-yl)propanoic acid
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| Structure |
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| Formula |
C29H33NO5S
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| Molecular Weight |
507.652
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| Canonical SMILES |
CCCCCCOC(Cc1ccc(OCCc2nc(oc2C)-c2ccccc2)c2ccsc12)C(O)=O
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| InChI |
InChI=1S/C29H33NO5S/c1-3-4-5-9-16-33-26(29(31)32)19-22-12-13-25(23-15-18-36-27(22)23)34-17-14-24-20(2)35-28(30-24)21-10-7-6-8-11-21/h6-8,10-13,15,18,26H,3-5,9,14,16-17,19H2,1-2H3,(H,31,32)
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| InChIKey |
WPDWUPQOYHNKGO-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