General Information of the Compound
| Compound ID |
CP0488575
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| Compound Name |
US9434711, 199
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| Structure |
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| Formula |
C22H17F4N3O2S2
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| Molecular Weight |
495.523
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| Canonical SMILES |
CCS(=O)(=O)N(Cc1ccc(F)c(c1)C(F)(F)F)c1sc2ccccc2c1-c1cncnc1
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| InChI |
InChI=1S/C22H17F4N3O2S2/c1-2-33(30,31)29(12-14-7-8-18(23)17(9-14)22(24,25)26)21-20(15-10-27-13-28-11-15)16-5-3-4-6-19(16)32-21/h3-11,13H,2,12H2,1H3
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| InChIKey |
LGKCWPPWHOJIMW-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