General Information of the Compound
| Compound ID |
CP0388724
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| Compound Name |
(S)-3-(4-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)benzo[b]thiophen-7-yl)-2-propoxypropanoic acid
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| Structure |
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| Formula |
C26H27NO5S
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| Molecular Weight |
465.571
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| Canonical SMILES |
CCCO[C@@H](Cc1ccc(OCCc2nc(oc2C)-c2ccccc2)c2ccsc12)C(O)=O
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| InChI |
InChI=1S/C26H27NO5S/c1-3-13-30-23(26(28)29)16-19-9-10-22(20-12-15-33-24(19)20)31-14-11-21-17(2)32-25(27-21)18-7-5-4-6-8-18/h4-10,12,15,23H,3,11,13-14,16H2,1-2H3,(H,28,29)/t23-/m0/s1
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| InChIKey |
NJKDMEJQXHMOJP-QHCPKHFHSA-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