General Information of the Compound
| Compound ID |
CP0421688
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| Compound Name |
2-[(6-phenyl-1,3-benzothiazol-2-yl)-(3,3,3-trifluoropropylsulfonyl)methyl]-5-[(sulfamoylamino)methyl]-1,3,4-oxadiazole
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| Structure |
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| Formula |
C20H18F3N5O5S3
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| Molecular Weight |
561.589
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| Canonical SMILES |
NS(=O)(=O)NCc1nnc(o1)C(c1nc2ccc(cc2s1)-c1ccccc1)S(=O)(=O)CCC(F)(F)F
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| InChI |
InChI=1S/C20H18F3N5O5S3/c21-20(22,23)8-9-35(29,30)17(18-28-27-16(33-18)11-25-36(24,31)32)19-26-14-7-6-13(10-15(14)34-19)12-4-2-1-3-5-12/h1-7,10,17,25H,8-9,11H2,(H2,24,31,32)
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| InChIKey |
FSUNAHQRORLLSK-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