General Information of the Compound
| Compound ID |
CP0530423
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| Compound Name |
US8618114, 1.1.2(2)
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| Structure |
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| Formula |
C14H12FN3O2S2
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| Molecular Weight |
337.401
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| Canonical SMILES |
CSc1nn2ccc(C)nc2c1S(=O)(=O)c1ccc(F)cc1
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| InChI |
InChI=1S/C14H12FN3O2S2/c1-9-7-8-18-13(16-9)12(14(17-18)21-2)22(19,20)11-5-3-10(15)4-6-11/h3-8H,1-2H3
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| InChIKey |
CKOVTZLSHMUOBI-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