General Information of the Compound
| Compound ID |
CP0519335
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| Compound Name |
US9169240, 49
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| Structure |
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| Formula |
C18H13N5O3S
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| Molecular Weight |
379.401
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| Canonical SMILES |
NC(=O)NCc1nnc(o1)C(=O)c1nc2ccc(cc2s1)-c1ccccc1
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| InChI |
InChI=1S/C18H13N5O3S/c19-18(25)20-9-14-22-23-16(26-14)15(24)17-21-12-7-6-11(8-13(12)27-17)10-4-2-1-3-5-10/h1-8H,9H2,(H3,19,20,25)
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| InChIKey |
MJNVZFSKUIJLPR-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