General Information of the Compound
| Compound ID |
CP0555817
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| Compound Name |
7-fluoro-4-[2-(4-methylpiperazin-1-yl)ethyl]-1-sulfanylidene-2H-[1,2,4]triazolo[4,3-a]quinazolin-5-one
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| Formula |
C16H19FN6OS
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| Molecular Weight |
362.434
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| Canonical SMILES |
CN1CCN(CCn2c3n[nH]c(=S)n3c3ccc(F)cc3c2=O)CC1
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| InChI |
InChI=1S/C16H19FN6OS/c1-20-4-6-21(7-5-20)8-9-22-14(24)12-10-11(17)2-3-13(12)23-15(22)18-19-16(23)25/h2-3,10H,4-9H2,1H3,(H,19,25)
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| InChIKey |
LVSISVIBJUEAPP-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