General Information of the Compound
| Compound ID |
CP0028590
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| Compound Name |
2-(1-aminoethyl)-8-bromo-3H-[1]benzofuro[3,2-d]pyrimidin-4-one
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| Structure |
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| Formula |
C12H10BrN3O2
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| Molecular Weight |
308.135
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| Canonical SMILES |
CC(N)c1nc2c3cc(Br)ccc3oc2c(=O)[nH]1
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| InChI |
InChI=1S/C12H10BrN3O2/c1-5(14)11-15-9-7-4-6(13)2-3-8(7)18-10(9)12(17)16-11/h2-5H,14H2,1H3,(H,15,16,17)
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| InChIKey |
LGRJHSGKEBRDHI-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