General Information of the Compound
| Compound ID |
CP0563865
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| Compound Name |
US9067935, 52
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| Structure |
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| Formula |
C24H22F3N3O3S
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| Molecular Weight |
489.519
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| Canonical SMILES |
CC(C)c1c(nc2ccccn12)N(Cc1ccc(OC(F)(F)F)cc1)S(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C24H22F3N3O3S/c1-17(2)22-23(28-21-10-6-7-15-29(21)22)30(34(31,32)20-8-4-3-5-9-20)16-18-11-13-19(14-12-18)33-24(25,26)27/h3-15,17H,16H2,1-2H3
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| InChIKey |
BHTLPGSCJSLUQO-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