General Information of the Compound
| Compound ID |
CP0567168
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| Compound Name |
US9796708, Example 228
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| Structure |
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| Formula |
C22H23FN4O5S
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| Molecular Weight |
474.514
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| Canonical SMILES |
CCOC(=O)NS(=O)(=O)N1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1cc(F)ccc1OC
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| InChI |
InChI=1S/C22H23FN4O5S/c1-3-32-22(28)26-33(29,30)27-10-7-14(8-11-27)19-13-18-16(6-9-24-21(18)25-19)17-12-15(23)4-5-20(17)31-2/h4-7,9,12-13H,3,8,10-11H2,1-2H3,(H,24,25)(H,26,28)
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| InChIKey |
KUIZXTKIHUHQND-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