General Information of the Compound
| Compound ID |
CP0471551
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| Compound Name |
4-benzyl-7-fluoro-1-sulfanylidene-2H-[1,2,4]triazolo[4,3-a]quinazolin-5-one
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| Formula |
C16H11FN4OS
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| Molecular Weight |
326.356
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| Canonical SMILES |
Fc1ccc2c(c1)c(=O)n(Cc1ccccc1)c1n[nH]c(=S)n21
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| InChI |
InChI=1S/C16H11FN4OS/c17-11-6-7-13-12(8-11)14(22)20(9-10-4-2-1-3-5-10)15-18-19-16(23)21(13)15/h1-8H,9H2,(H,19,23)
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| InChIKey |
VIGACJGWPVPHBB-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