General Information of the Compound
| Compound ID |
CP0491078
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| Compound Name |
US9422235, 24
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| Structure |
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| Formula |
C21H26F3N3O5S
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| Molecular Weight |
489.516
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| Canonical SMILES |
COc1cc(Nc2ccc(c(c2)C(F)(F)F)S(=O)(=O)NCCN2CCOCC2)cc(OC)c1
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| InChI |
InChI=1S/C21H26F3N3O5S/c1-30-17-11-16(12-18(14-17)31-2)26-15-3-4-20(19(13-15)21(22,23)24)33(28,29)25-5-6-27-7-9-32-10-8-27/h3-4,11-14,25-26H,5-10H2,1-2H3
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| InChIKey |
NVESOZDWNKDJQT-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