General Information of the Compound
| Compound ID |
CP0565031
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| Compound Name |
N-[3-(7-fluoro-5-oxo-1-sulfanylidene-2H-[1,2,4]triazolo[4,3-a]quinazolin-4-yl)propyl]-2-(3-methoxyphenyl)acetamide
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| Formula |
C21H20FN5O3S
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| Molecular Weight |
441.488
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| Canonical SMILES |
COc1cccc(CC(=O)NCCCn2c3n[nH]c(=S)n3c3ccc(F)cc3c2=O)c1
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| InChI |
InChI=1S/C21H20FN5O3S/c1-30-15-5-2-4-13(10-15)11-18(28)23-8-3-9-26-19(29)16-12-14(22)6-7-17(16)27-20(26)24-25-21(27)31/h2,4-7,10,12H,3,8-9,11H2,1H3,(H,23,28)(H,25,31)
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| InChIKey |
ARRRHZTVWRSLIH-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