General Information of the Compound
| Compound ID |
CP0569808
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| Compound Name |
US10266549, Example 182a
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| Structure |
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| Formula |
C13H11F3N6
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| Molecular Weight |
308.267
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| Canonical SMILES |
CNc1nc(Nc2cnc3[nH]ccc3c2)ncc1C(F)(F)F
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| InChI |
InChI=1S/C13H11F3N6/c1-17-11-9(13(14,15)16)6-20-12(22-11)21-8-4-7-2-3-18-10(7)19-5-8/h2-6H,1H3,(H,18,19)(H2,17,20,21,22)
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| InChIKey |
IQBTZHAGXJLQMZ-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