General Information of the Compound
| Compound ID |
CP0422407
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| Compound Name |
US9303045, 160
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| Structure |
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| Formula |
C20H22FN3O3
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| Molecular Weight |
371.412
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| Canonical SMILES |
CN1C2COCC1CC(C2)OC(=O)c1cn(CCF)c2ccc(cc12)C#N
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| InChI |
InChI=1S/C20H22FN3O3/c1-23-14-7-16(8-15(23)12-26-11-14)27-20(25)18-10-24(5-4-21)19-3-2-13(9-22)6-17(18)19/h2-3,6,10,14-16H,4-5,7-8,11-12H2,1H3
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| InChIKey |
WNCWQOUOMMBYQO-UHFFFAOYSA-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