General Information of the Compound
| Compound ID |
CP0401336
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| Compound Name |
2-isobutoxy-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 |
C27H29NO5S
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| Molecular Weight |
479.598
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| Canonical SMILES |
CC(C)COC(Cc1ccc(OCCc2nc(oc2C)-c2ccccc2)c2ccsc12)C(O)=O
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| InChI |
InChI=1S/C27H29NO5S/c1-17(2)16-32-24(27(29)30)15-20-9-10-23(21-12-14-34-25(20)21)31-13-11-22-18(3)33-26(28-22)19-7-5-4-6-8-19/h4-10,12,14,17,24H,11,13,15-16H2,1-3H3,(H,29,30)
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| InChIKey |
KQXDPYDFFKAXBV-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