General Information of the Compound
| Compound ID |
CP0524431
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| Compound Name |
US9062059, 3-13
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| Structure |
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| Formula |
C18H20FN7O2S
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| Molecular Weight |
417.47
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| Canonical SMILES |
COc1ccc(nc1)[C@H]1C[C@@H]1COc1nc(N)nc(NCc2nnc(C)s2)c1F
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| InChI |
InChI=1S/C18H20FN7O2S/c1-9-25-26-14(29-9)7-22-16-15(19)17(24-18(20)23-16)28-8-10-5-12(10)13-4-3-11(27-2)6-21-13/h3-4,6,10,12H,5,7-8H2,1-2H3,(H3,20,22,23,24)/t10-,12+/m1/s1
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| InChIKey |
UKHNFAFLUGJZRU-PWSUYJOCSA-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