General Information of the Compound
| Compound ID |
CP0555599
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| Compound Name |
US8987445, 231
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| Structure |
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| Formula |
C30H27F3N2O5S
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| Molecular Weight |
584.616
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| Canonical SMILES |
CC(C)c1nc(N(Cc2ccc(OC(F)(F)F)cc2)S(=O)(=O)c2ccc(cc2)C(O)=O)c(C2CC2)c2ccccc12
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| InChI |
InChI=1S/C30H27F3N2O5S/c1-18(2)27-25-6-4-3-5-24(25)26(20-9-10-20)28(34-27)35(17-19-7-13-22(14-8-19)40-30(31,32)33)41(38,39)23-15-11-21(12-16-23)29(36)37/h3-8,11-16,18,20H,9-10,17H2,1-2H3,(H,36,37)
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| InChIKey |
VKQYXCTVOOVVDD-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