General Information of the Compound
| Compound ID |
CP0426242
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| Compound Name |
US10806720, Compound 1052
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| Structure |
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| Formula |
C15H11F4IN4O2
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| Molecular Weight |
482.175
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| Canonical SMILES |
C[C@](O)(Cn1cc(F)cn1)C(=O)Nc1cc(c(cc1I)C#N)C(F)(F)F
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| InChI |
InChI=1S/C15H11F4IN4O2/c1-14(26,7-24-6-9(16)5-22-24)13(25)23-12-3-10(15(17,18)19)8(4-21)2-11(12)20/h2-3,5-6,26H,7H2,1H3,(H,23,25)/t14-/m0/s1
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| InChIKey |
PIQQCFQNYOSCOI-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