General Information of the Compound
| Compound ID |
CP0528320
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| Compound Name |
US10806720, Compound 1036
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| Structure |
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| Formula |
C15H12F3N5O4
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| Molecular Weight |
383.286
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| Canonical SMILES |
C[C@](O)(Cn1cc(cn1)[N+]([O-])=O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F
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| InChI |
InChI=1S/C15H12F3N5O4/c1-14(25,8-22-7-11(6-20-22)23(26)27)13(24)21-10-3-2-9(5-19)12(4-10)15(16,17)18/h2-4,6-7,25H,8H2,1H3,(H,21,24)/t14-/m0/s1
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| InChIKey |
LDIGXZUZJMDBIM-AWEZNQCLSA-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