General Information of the Compound
| Compound ID |
CP0471555
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| Compound Name |
4-[2-(4,4-difluoropiperidin-1-yl)ethyl]-7-fluoro-1-sulfanylidene-2H-[1,2,4]triazolo[4,3-a]quinazolin-5-one
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| Formula |
C16H16F3N5OS
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| Molecular Weight |
383.399
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| Canonical SMILES |
Fc1ccc2c(c1)c(=O)n(CCN1CCC(F)(F)CC1)c1n[nH]c(=S)n21
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| InChI |
InChI=1S/C16H16F3N5OS/c17-10-1-2-12-11(9-10)13(25)23(14-20-21-15(26)24(12)14)8-7-22-5-3-16(18,19)4-6-22/h1-2,9H,3-8H2,(H,21,26)
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| InChIKey |
DSAGYMBRXXAGLY-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