General Information of the Compound
| Compound ID |
CP0489044
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| Compound Name |
US10266549, Example 221a
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| Structure |
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| Formula |
C12H11F3N6
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| Molecular Weight |
296.256
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| Canonical SMILES |
FC(F)(F)c1cnc(Nc2ccnnc2)nc1NC1CC1
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| InChI |
InChI=1S/C12H11F3N6/c13-12(14,15)9-6-16-11(20-8-3-4-17-18-5-8)21-10(9)19-7-1-2-7/h3-7H,1-2H2,(H2,16,17,19,20,21)
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| InChIKey |
RWZPZKMRKGEWLM-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