General Information of the Compound
| Compound ID |
CP0549939
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| Compound Name |
US10668051, Compound Example 35
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| Structure |
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| Formula |
C21H19FN4O
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| Molecular Weight |
362.408
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| Canonical SMILES |
Fc1cc(NC(=O)c2ccncc2)ccc1-n1nc(cc1C1CC1)C1CC1
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| InChI |
InChI=1S/C21H19FN4O/c22-17-11-16(24-21(27)15-7-9-23-10-8-15)5-6-19(17)26-20(14-3-4-14)12-18(25-26)13-1-2-13/h5-14H,1-4H2,(H,24,27)
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| InChIKey |
CJSSCSFJKBMVPA-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