General Information of the Compound
| Compound ID |
CP0039115
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| Compound Name |
2-(5-((4-methyl-2-(trifluoromethyl)thiazol-5-yl)methylthio)-1H-indol-1-yl)acetic acid
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| Structure |
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| Formula |
C16H13F3N2O2S2
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| Molecular Weight |
386.42
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| Canonical SMILES |
Cc1nc(sc1CSc1ccc2n(CC(O)=O)ccc2c1)C(F)(F)F
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| InChI |
InChI=1S/C16H13F3N2O2S2/c1-9-13(25-15(20-9)16(17,18)19)8-24-11-2-3-12-10(6-11)4-5-21(12)7-14(22)23/h2-6H,7-8H2,1H3,(H,22,23)
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| InChIKey |
SBRYXHXGTIWXKI-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