General Information of the Compound
| Compound ID |
CP0520254
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| Compound Name |
US9365558, 6
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| Structure |
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| Formula |
C29H29F7N2O5S
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| Molecular Weight |
650.613
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| Canonical SMILES |
Cc1ccc(cc1)C1=C(C(=O)NS(=O)(=O)C2CC2)C(=O)N[C@@](C1)(c1ccc(OCCCCCC(F)(F)F)cc1F)C(F)(F)F
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| InChI |
InChI=1S/C29H29F7N2O5S/c1-17-5-7-18(8-6-17)21-16-27(29(34,35)36,37-25(39)24(21)26(40)38-44(41,42)20-10-11-20)22-12-9-19(15-23(22)30)43-14-4-2-3-13-28(31,32)33/h5-9,12,15,20H,2-4,10-11,13-14,16H2,1H3,(H,37,39)(H,38,40)/t27-/m0/s1
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| InChIKey |
XIWVGCZXCWFXFD-MHZLTWQESA-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