General Information of the Compound
| Compound ID |
CP0535596
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| Compound Name |
US8916553, 228
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| Structure |
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| Formula |
C17H13F3N2O3S
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| Molecular Weight |
382.363
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| Canonical SMILES |
CS(=O)(=O)Nc1ccc(c(OC(F)(F)F)c1)-c1cncc2ccccc12
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| InChI |
InChI=1S/C17H13F3N2O3S/c1-26(23,24)22-12-6-7-14(16(8-12)25-17(18,19)20)15-10-21-9-11-4-2-3-5-13(11)15/h2-10,22H,1H3
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| InChIKey |
QORZFOABUPIAMZ-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