General Information of the Compound
| Compound ID |
CP0544337
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| Compound Name |
US9278960, 6-3
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| Structure |
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| Formula |
C21H15FN4O
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| Molecular Weight |
358.376
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| Canonical SMILES |
NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(Cc3cncnc3)cc2n1
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| InChI |
InChI=1S/C21H15FN4O/c22-16-4-2-15(3-5-16)18-9-20(21(23)27)26-19-8-13(1-6-17(18)19)7-14-10-24-12-25-11-14/h1-6,8-12H,7H2,(H2,23,27)
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| InChIKey |
NKCGHGIOYKKQFX-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