General Information of the Compound
| Compound ID |
CP0573013
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| Compound Name |
9-fluoro-4-(2-phenylethyl)-1-sulfanylidene-2H-[1,2,4]triazolo[4,3-a]quinazolin-5-one
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| Formula |
C17H13FN4OS
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| Molecular Weight |
340.383
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| Canonical SMILES |
Fc1cccc2c1n1c(n[nH]c1=S)n(CCc1ccccc1)c2=O
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| InChI |
InChI=1S/C17H13FN4OS/c18-13-8-4-7-12-14(13)22-16(19-20-17(22)24)21(15(12)23)10-9-11-5-2-1-3-6-11/h1-8H,9-10H2,(H,20,24)
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| InChIKey |
GXFFIIRYUDXYSJ-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