General Information of the Compound
| Compound ID |
CP0578173
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| Compound Name |
US9365558, 5
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| Structure |
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| Formula |
C27H26F8N2O6S
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| Molecular Weight |
658.564
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| Canonical SMILES |
CS(=O)(=O)NC(=O)C1=C(C[C@](NC1=O)(c1ccc(OCCCCCC(F)(F)F)cc1)C(F)(F)F)c1ccc(OC(F)F)cc1
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| InChI |
InChI=1S/C27H26F8N2O6S/c1-44(40,41)37-23(39)21-20(16-5-9-19(10-6-16)43-24(28)29)15-25(27(33,34)35,36-22(21)38)17-7-11-18(12-8-17)42-14-4-2-3-13-26(30,31)32/h5-12,24H,2-4,13-15H2,1H3,(H,36,38)(H,37,39)/t25-/m0/s1
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| InChIKey |
UDWQNWSAARIVJY-VWLOTQADSA-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