General Information of the Compound
| Compound ID |
CP0132879
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| Compound Name |
US9216981, 27
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| Structure |
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| Formula |
C23H16ClF2N7O2S
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| Molecular Weight |
527.944
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| Canonical SMILES |
Cc1cccc(Cl)c1S(=O)(=O)Nc1ccc(F)c(Nc2ncccc2-c2ncnc3[nH]cnc23)c1F
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| InChI |
InChI=1S/C23H16ClF2N7O2S/c1-12-4-2-6-14(24)21(12)36(34,35)33-16-8-7-15(25)19(17(16)26)32-22-13(5-3-9-27-22)18-20-23(30-10-28-18)31-11-29-20/h2-11,33H,1H3,(H,27,32)(H,28,29,30,31)
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| InChIKey |
TVQBTBGIQXUFKX-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