General Information of the Compound
| Compound ID |
CP0517674
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| Compound Name |
4-[6-fluoro-2-[5-[(sulfamoylamino)methyl]-1,3,4-oxadiazole-2-carbonyl]-1,3-benzothiazol-5-yl]-N-(2,2,2-trifluoroethyl)benzamide
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| Structure |
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| Formula |
C20H14F4N6O5S2
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| Molecular Weight |
558.495
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| Canonical SMILES |
NS(=O)(=O)NCc1nnc(o1)C(=O)c1nc2cc(c(F)cc2s1)-c1ccc(cc1)C(=O)NCC(F)(F)F
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| InChI |
InChI=1S/C20H14F4N6O5S2/c21-12-6-14-13(5-11(12)9-1-3-10(4-2-9)17(32)26-8-20(22,23)24)28-19(36-14)16(31)18-30-29-15(35-18)7-27-37(25,33)34/h1-6,27H,7-8H2,(H,26,32)(H2,25,33,34)
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| InChIKey |
UBNQUXARYFJNPF-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
Protein ID: PT01303, Endothelial lipase
Protein ID: PT02459, Hepatic triacylglycerol lipase