General Information of the Compound
| Compound ID |
CP0386118
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| Compound Name |
(S)-3-(4-(2-(2-(3,5-dimethylphenyl)-5-methyloxazol-4-yl)ethoxy)benzo[b]thiophen-7-yl)-2-methoxypropanoic 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 |
CO[C@@H](Cc1ccc(OCCc2nc(oc2C)-c2cc(C)cc(C)c2)c2ccsc12)C(O)=O
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| InChI |
InChI=1S/C26H27NO5S/c1-15-11-16(2)13-19(12-15)25-27-21(17(3)32-25)7-9-31-22-6-5-18(14-23(30-4)26(28)29)24-20(22)8-10-33-24/h5-6,8,10-13,23H,7,9,14H2,1-4H3,(H,28,29)/t23-/m0/s1
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| InChIKey |
CSLKMCGKJYRBFB-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