General Information of the Compound
| Compound ID |
CP0533286
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| Compound Name |
7-(dimethylamino)-4-(2-phenylethyl)-1-sulfanylidene-2H-[1,2,4]triazolo[4,3-a]quinazolin-5-one
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| Formula |
C19H19N5OS
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| Molecular Weight |
365.462
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| Canonical SMILES |
CN(C)c1ccc2c(c1)c(=O)n(CCc1ccccc1)c1n[nH]c(=S)n21
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| InChI |
InChI=1S/C19H19N5OS/c1-22(2)14-8-9-16-15(12-14)17(25)23(18-20-21-19(26)24(16)18)11-10-13-6-4-3-5-7-13/h3-9,12H,10-11H2,1-2H3,(H,21,26)
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| InChIKey |
DSIFZPYEFYGDGH-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