General Information of the Compound
Compound ID |
CP0573018
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Compound Name |
7-fluoro-4-(2-piperidin-1-ylethyl)-1-sulfanylidene-2H-[1,2,4]triazolo[4,3-a]quinazolin-5-one
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Formula |
C16H18FN5OS
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Molecular Weight |
347.419
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Canonical SMILES |
Fc1ccc2c(c1)c(=O)n(CCN1CCCCC1)c1n[nH]c(=S)n21
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InChI |
InChI=1S/C16H18FN5OS/c17-11-4-5-13-12(10-11)14(23)21(15-18-19-16(24)22(13)15)9-8-20-6-2-1-3-7-20/h4-5,10H,1-3,6-9H2,(H,19,24)
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InChIKey |
YXGKVGCKFWARNG-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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