General Information of the Compound
| Compound ID |
CP0566249
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| Compound Name |
US9163011, 11
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| Structure |
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| Formula |
C17H16F5N7O3
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| Molecular Weight |
461.351
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| Canonical SMILES |
C[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ncc(OCC(F)F)nc2N)ccc1F
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| InChI |
InChI=1S/C17H16F5N7O3/c1-16(17(21,22)6-32-15(24)29-16)12-7(18)2-3-9(26-12)27-14(30)11-13(23)28-10(4-25-11)31-5-8(19)20/h2-4,8H,5-6H2,1H3,(H2,23,28)(H2,24,29)(H,26,27,30)/t16-/m1/s1
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| InChIKey |
FKUWIXCLOXGDMB-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