General Information of the Compound
| Compound ID |
CP0434611
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| Compound Name |
US10597366, Compound 287
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| Structure |
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| Formula |
C17H14FNO4S
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| Molecular Weight |
347.367
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| Canonical SMILES |
CS(=O)(=O)c1ccc(Oc2cc(F)cc(c2)C#N)c2CC[C@@H](O)c12
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| InChI |
InChI=1S/C17H14FNO4S/c1-24(21,22)16-5-4-15(13-2-3-14(20)17(13)16)23-12-7-10(9-19)6-11(18)8-12/h4-8,14,20H,2-3H2,1H3/t14-/m1/s1
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| InChIKey |
WNXOUIPEUXEGTL-CQSZACIVSA-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