General Information of the Compound
| Compound ID |
CP0118314
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| Compound Name |
US8716285, 42
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| Structure |
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| Formula |
C17H17ClN2O4S
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| Molecular Weight |
380.853
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| Canonical SMILES |
ONC(=O)c1ccc2CCC(Cc2c1)NS(=O)(=O)c1cccc(Cl)c1
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| InChI |
InChI=1S/C17H17ClN2O4S/c18-14-2-1-3-16(10-14)25(23,24)20-15-7-6-11-4-5-12(17(21)19-22)8-13(11)9-15/h1-5,8,10,15,20,22H,6-7,9H2,(H,19,21)
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| InChIKey |
WUJVMSTUBCBAMP-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