General Information of the Compound
| Compound ID |
CP0429256
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| Compound Name |
US9169240, 25
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| Structure |
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| Formula |
C18H15N5O4S2
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| Molecular Weight |
429.483
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| Canonical SMILES |
C[C@@H](NS(N)(=O)=O)c1nnc(o1)C(=O)c1nc2ccc(cc2s1)-c1ccccc1
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| InChI |
InChI=1S/C18H15N5O4S2/c1-10(23-29(19,25)26)16-21-22-17(27-16)15(24)18-20-13-8-7-12(9-14(13)28-18)11-5-3-2-4-6-11/h2-10,23H,1H3,(H2,19,25,26)/t10-/m1/s1
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| InChIKey |
VSMPITHDNJHFPV-SNVBAGLBSA-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