General Information of the Compound
| Compound ID |
CP0509006
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| Compound Name |
US8796328, 44
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| Structure |
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| Formula |
C22H26FN3O4S
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| Molecular Weight |
447.532
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| Canonical SMILES |
CS(=O)(=O)Nc1ccc(CNC(=O)NC2CC3(CCCC3)Oc3ccccc23)cc1F
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| InChI |
InChI=1S/C22H26FN3O4S/c1-31(28,29)26-18-9-8-15(12-17(18)23)14-24-21(27)25-19-13-22(10-4-5-11-22)30-20-7-3-2-6-16(19)20/h2-3,6-9,12,19,26H,4-5,10-11,13-14H2,1H3,(H2,24,25,27)
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| InChIKey |
STJAIVWIFCMIKB-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