General Information of the Compound
| Compound ID |
CP0519336
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| Compound Name |
4-[2-fluoro-4-[5-fluoro-2-[5-[(sulfamoylamino)methyl]-1,3,4-oxadiazole-2-carbonyl]-1,3-benzothiazol-6-yl]benzoyl]morpholine
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| Structure |
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| Formula |
C22H18F2N6O6S2
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| Molecular Weight |
564.552
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| Canonical SMILES |
NS(=O)(=O)NCc1nnc(o1)C(=O)c1nc2cc(F)c(cc2s1)-c1ccc(C(=O)N2CCOCC2)c(F)c1
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| InChI |
InChI=1S/C22H18F2N6O6S2/c23-14-7-11(1-2-12(14)22(32)30-3-5-35-6-4-30)13-8-17-16(9-15(13)24)27-21(37-17)19(31)20-29-28-18(36-20)10-26-38(25,33)34/h1-2,7-9,26H,3-6,10H2,(H2,25,33,34)
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| InChIKey |
KBNKBFXGKWROGE-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