General Information of the Compound
| Compound ID |
CP0539506
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| Compound Name |
US10028961, Compound 325
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| Structure |
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| Formula |
C18H16F5N7O
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| Molecular Weight |
441.364
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| Canonical SMILES |
CC(C)(O)CNc1nc(Nc2cc(F)cc(F)c2)nc(n1)-c1nccc(n1)C(F)(F)F
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| InChI |
InChI=1S/C18H16F5N7O/c1-17(2,31)8-25-15-28-14(13-24-4-3-12(27-13)18(21,22)23)29-16(30-15)26-11-6-9(19)5-10(20)7-11/h3-7,31H,8H2,1-2H3,(H2,25,26,28,29,30)
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| InChIKey |
MDLNQVWWUAJKJT-UHFFFAOYSA-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