General Information of the Compound
| Compound ID |
CP0528313
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| Compound Name |
N-[3-(7-fluoro-5-oxo-1-sulfanylidene-2H-[1,2,4]triazolo[4,3-a]quinazolin-4-yl)propyl]oxane-4-carboxamide
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| Formula |
C18H20FN5O3S
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| Molecular Weight |
405.455
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| Canonical SMILES |
Fc1ccc2c(c1)c(=O)n(CCCNC(=O)C1CCOCC1)c1n[nH]c(=S)n21
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| InChI |
InChI=1S/C18H20FN5O3S/c19-12-2-3-14-13(10-12)16(26)23(17-21-22-18(28)24(14)17)7-1-6-20-15(25)11-4-8-27-9-5-11/h2-3,10-11H,1,4-9H2,(H,20,25)(H,22,28)
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| InChIKey |
YIUUGCPBTCTHAZ-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