General Information of the Compound
| Compound ID |
CP0414223
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| Compound Name |
US9233953, 102
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| Structure |
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| Formula |
C19H20ClF3N4O3S2
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| Molecular Weight |
508.975
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| Canonical SMILES |
FC(F)(F)c1cnc(nc1)N1CCN([C@@H](C1)c1ccc(Cl)s1)C(=O)C1CCS(=O)(=O)CC1
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| InChI |
InChI=1S/C19H20ClF3N4O3S2/c20-16-2-1-15(31-16)14-11-26(18-24-9-13(10-25-18)19(21,22)23)5-6-27(14)17(28)12-3-7-32(29,30)8-4-12/h1-2,9-10,12,14H,3-8,11H2/t14-/m0/s1
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| InChIKey |
VSICMRXAUSUMMB-AWEZNQCLSA-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