General Information of the Compound
| Compound ID |
CP0479265
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| Compound Name |
5-methyl-8-(4-methylthiophen-2-yl)-[1,2,4]triazolo[4,3-a]quinolin-1(2H)-one
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| Structure |
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| Formula |
C16H13N3OS
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| Molecular Weight |
295.367
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| Canonical SMILES |
Cc1csc(c1)-c1ccc2c(C)cc3n[nH]c(=O)n3c2c1
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| InChI |
InChI=1S/C16H13N3OS/c1-9-5-14(21-8-9)11-3-4-12-10(2)6-15-17-18-16(20)19(15)13(12)7-11/h3-8H,1-2H3,(H,18,20)
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| InChIKey |
XEVVVGBZFPTGEN-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