General Information of the Compound
| Compound ID |
CP0516744
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| Compound Name |
US9365558, 21
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| Structure |
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| Formula |
C30H34F6N2O5S
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| Molecular Weight |
648.666
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| Canonical SMILES |
CC(C)(C)c1ccc(cc1)C1=C(C(=O)NS(C)(=O)=O)C(=O)N[C@@](C1)(c1ccc(OCCCCCC(F)(F)F)cc1)C(F)(F)F
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| InChI |
InChI=1S/C30H34F6N2O5S/c1-27(2,3)20-10-8-19(9-11-20)23-18-28(30(34,35)36,37-25(39)24(23)26(40)38-44(4,41)42)21-12-14-22(15-13-21)43-17-7-5-6-16-29(31,32)33/h8-15H,5-7,16-18H2,1-4H3,(H,37,39)(H,38,40)/t28-/m0/s1
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| InChIKey |
MWSDQIUIOPLWML-NDEPHWFRSA-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