General Information of the Compound
| Compound ID |
CP0533278
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| Compound Name |
S-(5-oxo-4-propyl-[1,2,4]triazolo[4,3-a]quinazolin-1-yl) ethanethioate
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| Formula |
C14H14N4O2S
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| Molecular Weight |
302.359
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| Canonical SMILES |
CCCn1c2nnc(SC(C)=O)n2c2ccccc2c1=O
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| InChI |
InChI=1S/C14H14N4O2S/c1-3-8-17-12(20)10-6-4-5-7-11(10)18-13(17)15-16-14(18)21-9(2)19/h4-7H,3,8H2,1-2H3
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| InChIKey |
BNYKCYPINRXOND-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