General Information of the Compound
| Compound ID |
CP0471402
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| Compound Name |
1-(methylthio)-4-propyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
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| Structure |
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| Formula |
C13H14N4OS
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| Molecular Weight |
274.349
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| Canonical SMILES |
CCCn1c2nnc(SC)n2c2ccccc2c1=O
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| InChI |
InChI=1S/C13H14N4OS/c1-3-8-16-11(18)9-6-4-5-7-10(9)17-12(16)14-15-13(17)19-2/h4-7H,3,8H2,1-2H3
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| InChIKey |
QCMQLIPWNDLWDB-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