General Information of the Compound
| Compound ID |
CP0569864
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| Compound Name |
US10266549, Example 165b
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| Structure |
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| Formula |
C12H9F3N4O2
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| Molecular Weight |
298.224
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| Canonical SMILES |
Nc1nc(Nc2ccc3OCOc3c2)ncc1C(F)(F)F
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| InChI |
InChI=1S/C12H9F3N4O2/c13-12(14,15)7-4-17-11(19-10(7)16)18-6-1-2-8-9(3-6)21-5-20-8/h1-4H,5H2,(H3,16,17,18,19)
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| InChIKey |
IOJFFPCIJQNFCW-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