General Information of the Compound
| Compound ID |
CP0572471
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| Compound Name |
US9434711, 806
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| Structure |
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| Formula |
C20H19F3N6O2S2
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| Molecular Weight |
496.54
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| Canonical SMILES |
Cc1c(sc2ccccc12)N(CCCCC(F)(F)F)S(=O)(=O)c1ccc(nc1)-c1nnn[nH]1
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| InChI |
InChI=1S/C20H19F3N6O2S2/c1-13-15-6-2-3-7-17(15)32-19(13)29(11-5-4-10-20(21,22)23)33(30,31)14-8-9-16(24-12-14)18-25-27-28-26-18/h2-3,6-9,12H,4-5,10-11H2,1H3,(H,25,26,27,28)
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| InChIKey |
CKRWDLPRKFYUHY-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