General Information of the Compound
| Compound ID |
CP0453271
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| Compound Name |
US9169260, 73
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| Structure |
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| Formula |
C25H26FN7O3S
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| Molecular Weight |
523.594
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| Canonical SMILES |
CS(=O)(=O)N1CCC(CC1)c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(cc1F)C1CC1
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| InChI |
InChI=1S/C25H26FN7O3S/c1-37(35,36)31-11-7-17(8-12-31)21-14-23(29-25(34)19-15-28-32-10-2-9-27-24(19)32)33(30-21)22-6-5-18(13-20(22)26)16-3-4-16/h2,5-6,9-10,13-17H,3-4,7-8,11-12H2,1H3,(H,29,34)
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| InChIKey |
XWYLXIOTEUAQJL-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