General Information of the Compound
| Compound ID |
CP0554885
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| Compound Name |
1-methylsulfanyl-4-(2-phenylethyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one
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| Formula |
C18H16N4OS
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| Molecular Weight |
336.42
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| Canonical SMILES |
CSc1nnc2n(CCc3ccccc3)c(=O)c3ccccc3n12
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| InChI |
InChI=1S/C18H16N4OS/c1-24-18-20-19-17-21(12-11-13-7-3-2-4-8-13)16(23)14-9-5-6-10-15(14)22(17)18/h2-10H,11-12H2,1H3
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| InChIKey |
CVZBWMNEGHUSHE-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