General Information of the Compound
| Compound ID |
CP0528391
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| Compound Name |
US10806720, Compound 1043
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| Structure |
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| Formula |
C15H11F6N5O2
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| Molecular Weight |
407.274
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| Canonical SMILES |
C[C@](O)(Cn1cc(cn1)C(F)(F)F)C(=O)Nc1cnc(C#N)c(c1)C(F)(F)F
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| InChI |
InChI=1S/C15H11F6N5O2/c1-13(28,7-26-6-8(4-24-26)14(16,17)18)12(27)25-9-2-10(15(19,20)21)11(3-22)23-5-9/h2,4-6,28H,7H2,1H3,(H,25,27)/t13-/m0/s1
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| InChIKey |
SJSHSOAKHMWTJT-ZDUSSCGKSA-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