General Information of the Compound
| Compound ID |
CP0031225
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| Compound Name |
2-(azetidin-3-yl)-8-bromo-3H-[1]benzofuro[3,2-d]pyrimidin-4-one
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| Structure |
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| Formula |
C13H10BrN3O2
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| Molecular Weight |
320.146
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| Canonical SMILES |
Brc1ccc2oc3c(nc([nH]c3=O)C3CNC3)c2c1
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| InChI |
InChI=1S/C13H10BrN3O2/c14-7-1-2-9-8(3-7)10-11(19-9)13(18)17-12(16-10)6-4-15-5-6/h1-3,6,15H,4-5H2,(H,16,17,18)
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| InChIKey |
VYHCLYDDXNTHAU-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