General Information of the Compound
| Compound ID |
CP0921936
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| Compound Name |
4-[[2,5-dioxo-1-[3-(trifluoromethyl)phenyl]-3-pyrrolidinyl]thio]-benzoic acid
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| Structure |
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| Formula |
C18H12F3NO4S
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| Molecular Weight |
395.358
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| Canonical SMILES |
O=C(O)c1ccc(SC2CC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)cc1
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| InChI |
InChI=1S/C18H12F3NO4S/c19-18(20,21)11-2-1-3-12(8-11)22-15(23)9-14(16(22)24)27-13-6-4-10(5-7-13)17(25)26/h1-8,14H,9H2,(H,25,26)
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| InChIKey |
PDGVSIPVKVNGRR-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