General Information of the Compound
| Compound ID |
CP0386100
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| Compound Name |
(S)-2-(cyclopropylmethoxy)-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 |
C27H27NO5S
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| Molecular Weight |
477.582
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| Canonical SMILES |
Cc1oc(nc1CCOc1ccc(C[C@H](OCC2CC2)C(O)=O)c2sccc12)-c1ccccc1
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| InChI |
InChI=1S/C27H27NO5S/c1-17-22(28-26(33-17)19-5-3-2-4-6-19)11-13-31-23-10-9-20(25-21(23)12-14-34-25)15-24(27(29)30)32-16-18-7-8-18/h2-6,9-10,12,14,18,24H,7-8,11,13,15-16H2,1H3,(H,29,30)/t24-/m0/s1
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| InChIKey |
QMAGLDMHKDLLOM-DEOSSOPVSA-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