General Information of the Compound
| Compound ID |
CP0565147
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| Compound Name |
US9085576, 376
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| Structure |
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| Formula |
C17H17F6N3O
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| Molecular Weight |
393.331
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| Canonical SMILES |
NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NCC2(CC2)C(F)(F)F)ccc1F
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| InChI |
InChI=1S/C17H17F6N3O/c18-11-2-1-8(25-7-15(3-4-15)17(21,22)23)5-9(11)16(13(19)20)10-6-12(10)27-14(24)26-16/h1-2,5,10,12-13,25H,3-4,6-7H2,(H2,24,26)/t10-,12+,16+/m0/s1
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| InChIKey |
FVRKAMWQOVYFOD-KANYHAFZSA-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