General Information of the Compound
| Compound ID |
CP0489442
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| Compound Name |
5-methyl-8-(4-(methylsulfinyl)phenyl)-[1,2,4]triazolo[4,3-a]quinolin-1(2H)-one
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| Structure |
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| Formula |
C18H15N3O2S
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| Molecular Weight |
337.404
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| Canonical SMILES |
Cc1cc2n[nH]c(=O)n2c2cc(ccc12)-c1ccc(cc1)S(C)=O
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| InChI |
InChI=1S/C18H15N3O2S/c1-11-9-17-19-20-18(22)21(17)16-10-13(5-8-15(11)16)12-3-6-14(7-4-12)24(2)23/h3-10H,1-2H3,(H,20,22)
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| InChIKey |
AAJXFZWRBGYHQS-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