General Information of the Compound
| Compound ID |
CP0471549
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| Compound Name |
N-[5-oxo-4-(2-phenylethyl)-1-sulfanylidene-2H-[1,2,4]triazolo[4,3-a]quinazolin-7-yl]acetamide
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| Formula |
C19H17N5O2S
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| Molecular Weight |
379.445
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| Canonical SMILES |
CC(=O)Nc1ccc2c(c1)c(=O)n(CCc1ccccc1)c1n[nH]c(=S)n21
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| InChI |
InChI=1S/C19H17N5O2S/c1-12(25)20-14-7-8-16-15(11-14)17(26)23(18-21-22-19(27)24(16)18)10-9-13-5-3-2-4-6-13/h2-8,11H,9-10H2,1H3,(H,20,25)(H,22,27)
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| InChIKey |
WXOJSKLCQUJIFR-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