General Information of the Compound
| Compound ID |
CP0517163
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| Compound Name |
US9067935, 86
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| Structure |
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| Formula |
C24H20BrF4N5O3S
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| Molecular Weight |
614.419
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| Canonical SMILES |
Fc1ccc(CN(c2nc3ccccn3c2Br)S(=O)(=O)c2ccc(nc2)N2CCOCC2)cc1C(F)(F)F
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| InChI |
InChI=1S/C24H20BrF4N5O3S/c25-22-23(31-21-3-1-2-8-33(21)22)34(15-16-4-6-19(26)18(13-16)24(27,28)29)38(35,36)17-5-7-20(30-14-17)32-9-11-37-12-10-32/h1-8,13-14H,9-12,15H2
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| InChIKey |
JKSJUOPSIAHQQM-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