General Information of the Compound
| Compound ID |
CP0520137
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| Compound Name |
US9012651, 239
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| Structure |
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| Formula |
C19H23F3N2O
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| Molecular Weight |
352.4
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| Canonical SMILES |
CC(C)[C@@H](CO)NCc1nc(CCc2ccc(F)c(F)c2)ccc1F
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| InChI |
InChI=1S/C19H23F3N2O/c1-12(2)19(11-25)23-10-18-16(21)8-6-14(24-18)5-3-13-4-7-15(20)17(22)9-13/h4,6-9,12,19,23,25H,3,5,10-11H2,1-2H3/t19-/m1/s1
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| InChIKey |
KQOGBMRASUNADX-LJQANCHMSA-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