General Information of the Compound
| Compound ID |
CP0531789
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| Compound Name |
US9067935, 47
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| Structure |
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| Formula |
C23H17F6N3O3S
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| Molecular Weight |
529.462
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| Canonical SMILES |
Cc1c(nc2cccc(n12)C(F)(F)F)N(Cc1ccc(OC(F)(F)F)cc1)S(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C23H17F6N3O3S/c1-15-21(30-20-9-5-8-19(32(15)20)22(24,25)26)31(36(33,34)18-6-3-2-4-7-18)14-16-10-12-17(13-11-16)35-23(27,28)29/h2-13H,14H2,1H3
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| InChIKey |
CPLBMFNULXIHCN-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