General Information of the Compound
| Compound ID |
CP0574223
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| Compound Name |
US9771320, Example 49
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| Structure |
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| Formula |
C23H23F7O4S
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| Molecular Weight |
528.486
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| Canonical SMILES |
COCCOC(c1ccc(cc1)C1(CCCC1)S(=O)(=O)c1ccc(F)cc1)(C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C23H23F7O4S/c1-33-14-15-34-21(22(25,26)27,23(28,29)30)17-6-4-16(5-7-17)20(12-2-3-13-20)35(31,32)19-10-8-18(24)9-11-19/h4-11H,2-3,12-15H2,1H3
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| InChIKey |
MCANDXITAIDMRL-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