General Information of the Compound
| Compound ID |
CP0573420
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| Compound Name |
7-fluoro-1-methyl-4-(2-phenylethyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one
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| Formula |
C18H15FN4O
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| Molecular Weight |
322.343
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| Canonical SMILES |
Cc1nnc2n(CCc3ccccc3)c(=O)c3cc(F)ccc3n12
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| InChI |
InChI=1S/C18H15FN4O/c1-12-20-21-18-22(10-9-13-5-3-2-4-6-13)17(24)15-11-14(19)7-8-16(15)23(12)18/h2-8,11H,9-10H2,1H3
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| InChIKey |
LOHAFILBHRXMKM-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