General Information of the Compound
| Compound ID |
CP0409250
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| Compound Name |
US9365558, 34
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| Structure |
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| Formula |
C25H24F6N2O6S
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| Molecular Weight |
594.53
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| Canonical SMILES |
COc1ccc(cc1)C1=C(C(=O)NS(C)(=O)=O)C(=O)N[C@@](C1)(c1ccc(OCCCC(F)(F)F)cc1)C(F)(F)F
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| InChI |
InChI=1S/C25H24F6N2O6S/c1-38-17-8-4-15(5-9-17)19-14-23(25(29,30)31,32-21(34)20(19)22(35)33-40(2,36)37)16-6-10-18(11-7-16)39-13-3-12-24(26,27)28/h4-11H,3,12-14H2,1-2H3,(H,32,34)(H,33,35)/t23-/m0/s1
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| InChIKey |
GBCLMTFPHFURRL-QHCPKHFHSA-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