General Information of the Compound
| Compound ID |
CP0529189
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| Compound Name |
US9187424, 282
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| Structure |
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| Formula |
C29H33F6N2O6P
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| Molecular Weight |
650.553
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| Canonical SMILES |
CCOP(=O)(CC(=O)NC1=C(CC(NC1=O)(c1ccc(OCCCC(F)(F)F)cc1)C(F)(F)F)c1ccc(C)cc1)OCC
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| InChI |
InChI=1S/C29H33F6N2O6P/c1-4-42-44(40,43-5-2)18-24(38)36-25-23(20-9-7-19(3)8-10-20)17-27(29(33,34)35,37-26(25)39)21-11-13-22(14-12-21)41-16-6-15-28(30,31)32/h7-14H,4-6,15-18H2,1-3H3,(H,36,38)(H,37,39)
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| InChIKey |
HVSZXOACCIOJNO-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