General Information of the Compound
| Compound ID |
CP0568420
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| Compound Name |
US10806720, Compound 1016
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| Structure |
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| Formula |
C16H18F3N3O3
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| Molecular Weight |
357.332
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| Canonical SMILES |
C[C@](O)(CN1CCOCC1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F
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| InChI |
InChI=1S/C16H18F3N3O3/c1-15(24,10-22-4-6-25-7-5-22)14(23)21-12-3-2-11(9-20)13(8-12)16(17,18)19/h2-3,8,24H,4-7,10H2,1H3,(H,21,23)/t15-/m0/s1
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| InChIKey |
IGJCUSRLDWMSLJ-HNNXBMFYSA-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