General Information of the Compound
| Compound ID |
CP0506841
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| Compound Name |
US9233953, 79
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| Structure |
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| Formula |
C18H19ClF3N3O4S2
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| Molecular Weight |
497.948
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| Canonical SMILES |
FC(F)(F)c1cc(no1)N1CCN(C(C1)c1ccc(Cl)s1)C(=O)C1CCS(=O)(=O)CC1
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| InChI |
InChI=1S/C18H19ClF3N3O4S2/c19-15-2-1-13(30-15)12-10-24(16-9-14(29-23-16)18(20,21)22)5-6-25(12)17(26)11-3-7-31(27,28)8-4-11/h1-2,9,11-12H,3-8,10H2
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| InChIKey |
VJEKCQXBDZSJNH-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