General Information of the Compound
| Compound ID |
CP0469975
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| Compound Name |
US9163011, 37
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| Structure |
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| Formula |
C17H16F5N7O2
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| Molecular Weight |
445.352
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| Canonical SMILES |
CC(F)(F)c1cnc(C(=O)Nc2ccc(F)c(n2)[C@@]2(C)N=C(N)OCC2(F)F)c(N)n1
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| InChI |
InChI=1S/C17H16F5N7O2/c1-15(17(21,22)6-31-14(24)29-15)11-7(18)3-4-9(27-11)28-13(30)10-12(23)26-8(5-25-10)16(2,19)20/h3-5H,6H2,1-2H3,(H2,23,26)(H2,24,29)(H,27,28,30)/t15-/m1/s1
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| InChIKey |
GEYFZFDMDJIWCM-OAHLLOKOSA-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