General Information of the Compound
| Compound ID |
CP0372814
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| Compound Name |
(S)-3-(4-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)benzo[b]thiophen-7-yl)-2-(2,2,2-trifluoroethoxy)propanoic acid
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| Structure |
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| Formula |
C25H22F3NO5S
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| Molecular Weight |
505.514
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| Canonical SMILES |
Cc1oc(nc1CCOc1ccc(C[C@H](OCC(F)(F)F)C(O)=O)c2sccc12)-c1ccccc1
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| InChI |
InChI=1S/C25H22F3NO5S/c1-15-19(29-23(34-15)16-5-3-2-4-6-16)9-11-32-20-8-7-17(22-18(20)10-12-35-22)13-21(24(30)31)33-14-25(26,27)28/h2-8,10,12,21H,9,11,13-14H2,1H3,(H,30,31)/t21-/m0/s1
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| InChIKey |
WBFFVLPWAJTXLI-NRFANRHFSA-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