General Information of the Compound
| Compound ID |
CP0549937
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| Compound Name |
US9040693, 233
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| Synonyms |
KLH-2109
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| Structure |
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| Formula |
C22H15F3N2O7S
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| Molecular Weight |
508.43
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| Canonical SMILES |
COc1cc(F)c(cc1OCc1c(OC)ccc(F)c1F)-n1c(=O)[nH]c2csc(C(O)=O)c2c1=O
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| InChI |
InChI=1S/C22H15F3N2O7S/c1-32-14-4-3-10(23)18(25)9(14)7-34-16-6-13(11(24)5-15(16)33-2)27-20(28)17-12(26-22(27)31)8-35-19(17)21(29)30/h3-6,8H,7H2,1-2H3,(H,26,31)(H,29,30)
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| InChIKey |
BMAAMIIYNNPHAB-UHFFFAOYSA-N
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| CAS |
935283-04-8
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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
Clinical Information about the Compound