General Information of the Compound
| Compound ID |
CP0916113
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| Compound Name |
rac-N-(sec-Butyl)-3-(5-oxo-1-thioxo-1,2-dihydro-[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl)propanamide
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| Structure |
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| Formula |
C16H19N5O2S
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| Molecular Weight |
345.428
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| Canonical SMILES |
CCC(C)NC(=O)CCn1c(=O)c2ccccc2n2c(=S)[nH]nc12
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| InChI |
InChI=1S/C16H19N5O2S/c1-3-10(2)17-13(22)8-9-20-14(23)11-6-4-5-7-12(11)21-15(20)18-19-16(21)24/h4-7,10H,3,8-9H2,1-2H3,(H,17,22)(H,19,24)
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| InChIKey |
LKEXPVMSHBWSQE-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