General Information of the Compound
| Compound ID |
CP0388949
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| Compound Name |
N-(7-fluoroquinolin-3-yl)-2H-triazole-4-carboxamide
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| Structure |
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| Formula |
C12H8FN5O
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| Molecular Weight |
257.228
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| Canonical SMILES |
Fc1ccc2cc(NC(=O)c3cn[nH]n3)cnc2c1
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| InChI |
InChI=1S/C12H8FN5O/c13-8-2-1-7-3-9(5-14-10(7)4-8)16-12(19)11-6-15-18-17-11/h1-6H,(H,16,19)(H,15,17,18)
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| InChIKey |
DWBUWDYUERPYSN-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