General Information of the Compound
| Compound ID |
CP0560183
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| Compound Name |
US11078186, Example 83
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| Structure |
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| Formula |
C21H21F6NO3S
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| Molecular Weight |
481.458
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| Canonical SMILES |
C[C@@]1(CN(C[C@H]1c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F)S(C)(=O)=O)c1ccccc1
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| InChI |
InChI=1S/C21H21F6NO3S/c1-18(15-6-4-3-5-7-15)13-28(32(2,30)31)12-17(18)14-8-10-16(11-9-14)19(29,20(22,23)24)21(25,26)27/h3-11,17,29H,12-13H2,1-2H3/t17-,18+/m0/s1
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| InChIKey |
QEFHNUQIMHPUHY-ZWKOTPCHSA-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