General Information of the Compound
| Compound ID |
CP0388725
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| Compound Name |
(S)-2-ethoxy-3-(4-(2-(5-methyl-2-(4-(trifluoromethyl)phenyl)oxazol-4-yl)ethoxy)benzo[b]thiophen-7-yl)propanoic acid
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| Structure |
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| Formula |
C26H24F3NO5S
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| Molecular Weight |
519.541
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| Canonical SMILES |
CCO[C@@H](Cc1ccc(OCCc2nc(oc2C)-c2ccc(cc2)C(F)(F)F)c2ccsc12)C(O)=O
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| InChI |
InChI=1S/C26H24F3NO5S/c1-3-33-22(25(31)32)14-17-6-9-21(19-11-13-36-23(17)19)34-12-10-20-15(2)35-24(30-20)16-4-7-18(8-5-16)26(27,28)29/h4-9,11,13,22H,3,10,12,14H2,1-2H3,(H,31,32)/t22-/m0/s1
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| InChIKey |
PRDUTBIGRDZMPE-QFIPXVFZSA-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