General Information of the Compound
| Compound ID |
CP0507883
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| Compound Name |
US9422235, 71
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| Structure |
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| Formula |
C16H19F3N4O2S
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| Molecular Weight |
388.415
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| Canonical SMILES |
CCn1nccc1Nc1ccc(c(c1)C(F)(F)F)S(=O)(=O)NCC1CC1
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| InChI |
InChI=1S/C16H19F3N4O2S/c1-2-23-15(7-8-20-23)22-12-5-6-14(13(9-12)16(17,18)19)26(24,25)21-10-11-3-4-11/h5-9,11,21-22H,2-4,10H2,1H3
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| InChIKey |
UZRDXLDLZWWXGO-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