General Information of the Compound
| Compound ID |
CP0471557
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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]-2-morpholin-4-ylacetamide
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| Formula |
C18H21FN6O3S
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| Molecular Weight |
420.47
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| Canonical SMILES |
Fc1ccc2c(c1)c(=O)n(CCCNC(=O)CN1CCOCC1)c1n[nH]c(=S)n21
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| InChI |
InChI=1S/C18H21FN6O3S/c19-12-2-3-14-13(10-12)16(27)24(17-21-22-18(29)25(14)17)5-1-4-20-15(26)11-23-6-8-28-9-7-23/h2-3,10H,1,4-9,11H2,(H,20,26)(H,22,29)
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| InChIKey |
KOMUBOJHKISIJW-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