General Information of the Compound
| Compound ID |
CP0573022
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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-phenylacetamide
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| Formula |
C20H18FN5O2S
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| Molecular Weight |
411.462
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| Canonical SMILES |
Fc1ccc2c(c1)c(=O)n(CCCNC(=O)Cc1ccccc1)c1n[nH]c(=S)n21
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| InChI |
InChI=1S/C20H18FN5O2S/c21-14-7-8-16-15(12-14)18(28)25(19-23-24-20(29)26(16)19)10-4-9-22-17(27)11-13-5-2-1-3-6-13/h1-3,5-8,12H,4,9-11H2,(H,22,27)(H,24,29)
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| InChIKey |
ZJAJTDFDSZMRDT-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