General Information of the Compound
| Compound ID |
CP0518380
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| Compound Name |
US8987445, 97
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| Structure |
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| Formula |
C28H25F3N2O5S
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| Molecular Weight |
558.578
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| Canonical SMILES |
CCCc1nc(N(Cc2ccc(OC(F)(F)F)cc2)S(=O)(=O)c2ccc(cc2)C(O)=O)c(C)c2ccccc12
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| InChI |
InChI=1S/C28H25F3N2O5S/c1-3-6-25-24-8-5-4-7-23(24)18(2)26(32-25)33(17-19-9-13-21(14-10-19)38-28(29,30)31)39(36,37)22-15-11-20(12-16-22)27(34)35/h4-5,7-16H,3,6,17H2,1-2H3,(H,34,35)
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| InChIKey |
DKXAEAWGUUHXJU-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