General Information of the Compound
| Compound ID |
CP0419297
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| Compound Name |
US9169240, 29
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| Structure |
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| Formula |
C17H12FN5O4S2
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| Molecular Weight |
433.446
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| Canonical SMILES |
NS(=O)(=O)NCc1nnc(o1)C(=O)c1nc2ccc(cc2s1)-c1ccc(F)cc1
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| InChI |
InChI=1S/C17H12FN5O4S2/c18-11-4-1-9(2-5-11)10-3-6-12-13(7-10)28-17(21-12)15(24)16-23-22-14(27-16)8-20-29(19,25)26/h1-7,20H,8H2,(H2,19,25,26)
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| InChIKey |
RNPVUJKRQIQJFN-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