General Information of the Compound
| Compound ID |
CP0472403
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| Compound Name |
US8618114, 1.1.3(5)
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| Structure |
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| Formula |
C14H11ClFN3O2S2
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| Molecular Weight |
371.846
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| Canonical SMILES |
CSc1nn2c(C)ccnc2c1S(=O)(=O)c1ccc(F)c(Cl)c1
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| InChI |
InChI=1S/C14H11ClFN3O2S2/c1-8-5-6-17-13-12(14(22-2)18-19(8)13)23(20,21)9-3-4-11(16)10(15)7-9/h3-7H,1-2H3
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| InChIKey |
LYPYSDSVJRKEDT-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