General Information of the Compound
| Compound ID |
CP0573020
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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]-4-sulfamoylbutanamide
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| Formula |
C16H19FN6O4S2
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| Molecular Weight |
442.498
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| Canonical SMILES |
NS(=O)(=O)CCCC(=O)NCCCn1c2n[nH]c(=S)n2c2ccc(F)cc2c1=O
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| InChI |
InChI=1S/C16H19FN6O4S2/c17-10-4-5-12-11(9-10)14(25)22(15-20-21-16(28)23(12)15)7-2-6-19-13(24)3-1-8-29(18,26)27/h4-5,9H,1-3,6-8H2,(H,19,24)(H,21,28)(H2,18,26,27)
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| InChIKey |
PWGLZWTVFBLIDR-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