General Information of the Compound
| Compound ID |
CP0535093
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| Compound Name |
N-[2-(7-fluoro-5-oxo-1-sulfanylidene-2H-[1,2,4]triazolo[4,3-a]quinazolin-4-yl)ethyl]acetamide
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| Formula |
C13H12FN5O2S
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| Molecular Weight |
321.337
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| Canonical SMILES |
CC(=O)NCCn1c2n[nH]c(=S)n2c2ccc(F)cc2c1=O
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| InChI |
InChI=1S/C13H12FN5O2S/c1-7(20)15-4-5-18-11(21)9-6-8(14)2-3-10(9)19-12(18)16-17-13(19)22/h2-3,6H,4-5H2,1H3,(H,15,20)(H,17,22)
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| InChIKey |
FFZWMMMZSQJIJZ-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