General Information of the Compound
| Compound ID |
CP0395118
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| Compound Name |
4-oxo-4-[5-[5-[4-thiophen-2-yl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]-2,3-dihydroindol-1-yl]butanoic acid
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| Structure |
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| Formula |
C25H18F3N3O4S
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| Molecular Weight |
513.497
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| Canonical SMILES |
OC(=O)CCC(=O)N1CCc2cc(ccc12)-c1noc(n1)-c1ccc(-c2cccs2)c(c1)C(F)(F)F
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| InChI |
InChI=1S/C25H18F3N3O4S/c26-25(27,28)18-13-16(3-5-17(18)20-2-1-11-36-20)24-29-23(30-35-24)15-4-6-19-14(12-15)9-10-31(19)21(32)7-8-22(33)34/h1-6,11-13H,7-10H2,(H,33,34)
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| InChIKey |
ZYUGGXWRMOUNLQ-UHFFFAOYSA-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