General Information of the Compound
Compound ID |
CP0419674
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Compound Name |
US9422235, 54
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Structure |
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Formula |
C21H25F3N2O5S
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Molecular Weight |
474.501
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Canonical SMILES |
COc1cc(Nc2ccc(c(c2)C(F)(F)F)S(=O)(=O)NCC2CCOCC2)cc(OC)c1
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InChI |
InChI=1S/C21H25F3N2O5S/c1-29-17-9-16(10-18(12-17)30-2)26-15-3-4-20(19(11-15)21(22,23)24)32(27,28)25-13-14-5-7-31-8-6-14/h3-4,9-12,14,25-26H,5-8,13H2,1-2H3
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InChIKey |
MMODSIWLALFJRU-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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