General Information of the Compound
| Compound ID |
CP0556914
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| Compound Name |
US9067935, 59
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| Structure |
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| Formula |
C24H19F6N3O2S
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| Molecular Weight |
527.49
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| Canonical SMILES |
CCc1c(nc2c(cccn12)C(F)(F)F)N(Cc1cccc(c1)C(F)(F)F)S(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C24H19F6N3O2S/c1-2-20-22(31-21-19(24(28,29)30)12-7-13-32(20)21)33(36(34,35)18-10-4-3-5-11-18)15-16-8-6-9-17(14-16)23(25,26)27/h3-14H,2,15H2,1H3
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| InChIKey |
NJHVVMFDYVXYMP-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