General Information of the Compound
| Compound ID |
CP0521286
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| Compound Name |
US9163011, 28
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| Structure |
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| Formula |
C17H18F3N7O3
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| Molecular Weight |
425.371
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| Canonical SMILES |
CCOc1cnc(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/C17H18F3N7O3/c1-3-29-10-6-23-11(13(21)26-10)14(28)25-9-5-4-8(18)12(24-9)16(2)17(19,20)7-30-15(22)27-16/h4-6H,3,7H2,1-2H3,(H2,21,26)(H2,22,27)(H,24,25,28)/t16-/m1/s1
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| InChIKey |
NUEIKLHJDKPZGO-MRXNPFEDSA-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