General Information of the Compound
| Compound ID |
CP0567676
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| Compound Name |
US9422235, 75
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| Structure |
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| Formula |
C21H25F3N2O4S
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| Molecular Weight |
458.502
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| Canonical SMILES |
COc1cc(Nc2ccc(c(c2)C(F)(F)F)S(=O)(=O)NC(C)(C)C2CC2)cc(OC)c1
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| InChI |
InChI=1S/C21H25F3N2O4S/c1-20(2,13-5-6-13)26-31(27,28)19-8-7-14(11-18(19)21(22,23)24)25-15-9-16(29-3)12-17(10-15)30-4/h7-13,25-26H,5-6H2,1-4H3
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| InChIKey |
QSGDUNJSTPGJQV-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