General Information of the Compound
| Compound ID |
CP0419298
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| Compound Name |
US9169240, 30
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| Structure |
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| Formula |
C19H16N6O6S2
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| Molecular Weight |
488.507
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| Canonical SMILES |
COC(=O)Nc1ccc(cc1)-c1ccc2nc(sc2c1)C(=O)c1nnc(CNS(N)(=O)=O)o1
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| InChI |
InChI=1S/C19H16N6O6S2/c1-30-19(27)22-12-5-2-10(3-6-12)11-4-7-13-14(8-11)32-18(23-13)16(26)17-25-24-15(31-17)9-21-33(20,28)29/h2-8,21H,9H2,1H3,(H,22,27)(H2,20,28,29)
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| InChIKey |
DMPVUNBZJQKAFR-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