General Information of the Compound
| Compound ID |
CP0542820
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| Compound Name |
2-(2-cyanophenyl)-N-[3-(7-fluoro-5-oxo-1-sulfanylidene-2H-[1,2,4]triazolo[4,3-a]quinazolin-4-yl)propyl]acetamide
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| Formula |
C21H17FN6O2S
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| Molecular Weight |
436.472
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| Canonical SMILES |
Fc1ccc2c(c1)c(=O)n(CCCNC(=O)Cc1ccccc1C#N)c1n[nH]c(=S)n21
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| InChI |
InChI=1S/C21H17FN6O2S/c22-15-6-7-17-16(11-15)19(30)27(20-25-26-21(31)28(17)20)9-3-8-24-18(29)10-13-4-1-2-5-14(13)12-23/h1-2,4-7,11H,3,8-10H2,(H,24,29)(H,26,31)
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| InChIKey |
WVGGYGFBIMIPTH-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