General Information of the Compound
| Compound ID |
CP0571782
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| Compound Name |
7-fluoro-4-(3-phenylpropyl)-1-sulfanylidene-2H-[1,2,4]triazolo[4,3-a]quinazolin-5-one
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| Formula |
C18H15FN4OS
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| Molecular Weight |
354.41
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| Canonical SMILES |
Fc1ccc2c(c1)c(=O)n(CCCc1ccccc1)c1n[nH]c(=S)n21
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| InChI |
InChI=1S/C18H15FN4OS/c19-13-8-9-15-14(11-13)16(24)22(17-20-21-18(25)23(15)17)10-4-7-12-5-2-1-3-6-12/h1-3,5-6,8-9,11H,4,7,10H2,(H,21,25)
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| InChIKey |
YVYISAUWEDGFCH-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