General Information of the Compound
| Compound ID |
CP0525253
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| Compound Name |
US9303045, 103
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| Structure |
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| Formula |
C19H22F3N3O2
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| Molecular Weight |
381.398
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| Canonical SMILES |
CN1C2CCCC1CC(C2)OC(=O)c1cn(CC(F)(F)F)c2ncccc12
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| InChI |
InChI=1S/C19H22F3N3O2/c1-24-12-4-2-5-13(24)9-14(8-12)27-18(26)16-10-25(11-19(20,21)22)17-15(16)6-3-7-23-17/h3,6-7,10,12-14H,2,4-5,8-9,11H2,1H3
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| InChIKey |
RENUQCSYYGDAPC-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