General Information of the Compound
| Compound ID |
CP0554887
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| Compound Name |
7-bromo-4-(2-phenylethyl)-1-sulfanylidene-2H-[1,2,4]triazolo[4,3-a]quinazolin-5-one
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| Formula |
C17H13BrN4OS
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| Molecular Weight |
401.289
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| Canonical SMILES |
Brc1ccc2c(c1)c(=O)n(CCc1ccccc1)c1n[nH]c(=S)n21
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| InChI |
InChI=1S/C17H13BrN4OS/c18-12-6-7-14-13(10-12)15(23)21(16-19-20-17(24)22(14)16)9-8-11-4-2-1-3-5-11/h1-7,10H,8-9H2,(H,20,24)
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| InChIKey |
POJBEZPPFIPGTF-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