General Information of the Compound
| Compound ID |
CP0483684
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| Compound Name |
US9000044, 52
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| Structure |
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| Formula |
C27H24FNO5S
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| Molecular Weight |
493.556
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| Canonical SMILES |
COc1ccc(CNS(=O)(=O)c2ccc(cc2)-c2c(C)c(CC(O)=O)cc3ccc(F)cc23)cc1
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| InChI |
InChI=1S/C27H24FNO5S/c1-17-21(14-26(30)31)13-20-5-8-22(28)15-25(20)27(17)19-6-11-24(12-7-19)35(32,33)29-16-18-3-9-23(34-2)10-4-18/h3-13,15,29H,14,16H2,1-2H3,(H,30,31)
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| InChIKey |
MMXVOSCIFZKLQJ-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