General Information of the Compound
| Compound ID |
CP0086461
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| Compound Name |
US10597366, Compound 231
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| Structure |
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| Formula |
C17H13F2NO4S
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| Molecular Weight |
365.357
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| Canonical SMILES |
CS(=O)(=O)c1ccc(Oc2cc(F)cc(c2)C#N)c2C[C@@H](F)[C@@H](O)c12
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| InChI |
InChI=1S/C17H13F2NO4S/c1-25(22,23)15-3-2-14(12-7-13(19)17(21)16(12)15)24-11-5-9(8-20)4-10(18)6-11/h2-6,13,17,21H,7H2,1H3/t13-,17-/m1/s1
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| InChIKey |
GTHLUQQEKIJSME-CXAGYDPISA-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