General Information of the Compound
| Compound ID |
CP0524401
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| Compound Name |
US8952008, 38
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| Structure |
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| Formula |
C22H21FN4O3S
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| Molecular Weight |
440.5
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| Canonical SMILES |
COc1cc(ccc1-c1cc(ccc1F)-c1cnnc2n(cnc12)C(C)C)S(C)(=O)=O
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| InChI |
InChI=1S/C22H21FN4O3S/c1-13(2)27-12-24-21-18(11-25-26-22(21)27)14-5-8-19(23)17(9-14)16-7-6-15(31(4,28)29)10-20(16)30-3/h5-13H,1-4H3
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| InChIKey |
ATANXXIRELYOTO-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