General Information of the Compound
| Compound ID |
CP0402542
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| Compound Name |
US9192603, 39
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| Structure |
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| Formula |
C18H17N3O4S2
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| Molecular Weight |
403.485
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| Canonical SMILES |
COc1ccc(CS(=O)(=O)c2sc(NC(=O)c3ccccn3)nc2C)cc1
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| InChI |
InChI=1S/C18H17N3O4S2/c1-12-17(27(23,24)11-13-6-8-14(25-2)9-7-13)26-18(20-12)21-16(22)15-5-3-4-10-19-15/h3-10H,11H2,1-2H3,(H,20,21,22)
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| InChIKey |
DCKLKZMLZRTYHW-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