General Information of the Compound
| Compound ID |
CP0471559
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| Compound Name |
2-(4-bromophenyl)-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 |
C20H17BrFN5O2S
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| Molecular Weight |
490.358
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| Canonical SMILES |
Fc1ccc2c(c1)c(=O)n(CCCNC(=O)Cc1ccc(Br)cc1)c1n[nH]c(=S)n21
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| InChI |
InChI=1S/C20H17BrFN5O2S/c21-13-4-2-12(3-5-13)10-17(28)23-8-1-9-26-18(29)15-11-14(22)6-7-16(15)27-19(26)24-25-20(27)30/h2-7,11H,1,8-10H2,(H,23,28)(H,25,30)
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| InChIKey |
CWGRKPQEWRYLLL-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