General Information of the Compound
| Compound ID |
CP0551195
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| Compound Name |
US8796328, 15
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| Structure |
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| Formula |
C21H21F6N3O5S
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| Molecular Weight |
541.47
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| Canonical SMILES |
CS(=O)(=O)Nc1ccc(CNC(=O)N[C@@H]2CC(CF)(CF)Oc3cc(OC(F)(F)F)ccc23)cc1F
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| InChI |
InChI=1S/C21H21F6N3O5S/c1-36(32,33)30-16-5-2-12(6-15(16)24)9-28-19(31)29-17-8-20(10-22,11-23)35-18-7-13(3-4-14(17)18)34-21(25,26)27/h2-7,17,30H,8-11H2,1H3,(H2,28,29,31)/t17-/m1/s1
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| InChIKey |
GNHJKGFZUDFHID-QGZVFWFLSA-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