General Information of the Compound
| Compound ID |
CP0409249
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| Compound Name |
US9365558, 28
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| Structure |
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| Formula |
C28H30F6N2O5S
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| Molecular Weight |
620.612
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| Canonical SMILES |
Cc1ccc(cc1)C1=C(C(=O)NS(=O)(=O)C(C)(C)C)C(=O)N[C@@](C1)(c1ccc(OCCCC(F)(F)F)cc1)C(F)(F)F
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| InChI |
InChI=1S/C28H30F6N2O5S/c1-17-6-8-18(9-7-17)21-16-26(28(32,33)34,19-10-12-20(13-11-19)41-15-5-14-27(29,30)31)35-23(37)22(21)24(38)36-42(39,40)25(2,3)4/h6-13H,5,14-16H2,1-4H3,(H,35,37)(H,36,38)/t26-/m0/s1
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| InChIKey |
UFOLGFLZLZKWBB-SANMLTNESA-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