General Information of the Compound
| Compound ID |
CP0564975
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| Compound Name |
US9067935, 71
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| Structure |
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| Formula |
C24H20F3N3O3S
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| Molecular Weight |
487.503
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| Canonical SMILES |
FC(F)(F)Oc1ccc(CN(c2nc3ccccn3c2C2CC2)S(=O)(=O)c2ccccc2)cc1
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| InChI |
InChI=1S/C24H20F3N3O3S/c25-24(26,27)33-19-13-9-17(10-14-19)16-30(34(31,32)20-6-2-1-3-7-20)23-22(18-11-12-18)29-15-5-4-8-21(29)28-23/h1-10,13-15,18H,11-12,16H2
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| InChIKey |
QJTBCKDQXGMDSZ-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