General Information of the Compound
| Compound ID |
CP0532957
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| Compound Name |
4-(2-diethoxyphosphorylethyl)-7-fluoro-1-sulfanylidene-2H-[1,2,4]triazolo[4,3-a]quinazolin-5-one
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| Formula |
C15H18FN4O4PS
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| Molecular Weight |
400.372
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| Canonical SMILES |
CCOP(=O)(CCn1c2n[nH]c(=S)n2c2ccc(F)cc2c1=O)OCC
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| InChI |
InChI=1S/C15H18FN4O4PS/c1-3-23-25(22,24-4-2)8-7-19-13(21)11-9-10(16)5-6-12(11)20-14(19)17-18-15(20)26/h5-6,9H,3-4,7-8H2,1-2H3,(H,18,26)
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| InChIKey |
MBBHMDUYGKSPSI-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