General Information of the Compound
| Compound ID |
CP0138000
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| Compound Name |
2-(5-Bromo-furan-2-yl)-9-chloro-[1,2,4]triazolo[1,5-c]quinazolin-5-ylamine
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| Structure |
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| Formula |
C13H7BrClN5O
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| Molecular Weight |
364.59
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| Canonical SMILES |
Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccc(Br)o1
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| InChI |
InChI=1S/C13H7BrClN5O/c14-10-4-3-9(21-10)11-18-12-7-5-6(15)1-2-8(7)17-13(16)20(12)19-11/h1-5H,(H2,16,17)
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| InChIKey |
QGBHBAZUMLQTSK-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