General Information of the Compound
| Compound ID |
CP0552906
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| Compound Name |
7-fluoro-4-(2-phenylethyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one
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| Formula |
C17H13FN4O
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| Molecular Weight |
308.316
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| Canonical SMILES |
Fc1ccc2c(c1)c(=O)n(CCc1ccccc1)c1nncn21
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| InChI |
InChI=1S/C17H13FN4O/c18-13-6-7-15-14(10-13)16(23)21(17-20-19-11-22(15)17)9-8-12-4-2-1-3-5-12/h1-7,10-11H,8-9H2
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| InChIKey |
PSUTUXIHUNZQGZ-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