General Information of the Compound
| Compound ID |
CP0578164
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| Compound Name |
US9233953, 41
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| Structure |
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| Formula |
C20H21F3N4O3S
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| Molecular Weight |
454.474
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| Canonical SMILES |
Fc1cnc(nc1)N1CCN(C(C1)c1ccc(F)c(F)c1)C(=O)C1CCS(=O)(=O)CC1
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| InChI |
InChI=1S/C20H21F3N4O3S/c21-15-10-24-20(25-11-15)26-5-6-27(19(28)13-3-7-31(29,30)8-4-13)18(12-26)14-1-2-16(22)17(23)9-14/h1-2,9-11,13,18H,3-8,12H2
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| InChIKey |
HEOXRXAVYQWQAB-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