General Information of the Compound
| Compound ID |
CP0031224
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| Compound Name |
1-[(8-bromo-4-oxo-3H-[1]benzofuro[3,2-d]pyrimidin-2-yl)methyl]pyrrolidine-3-carboxylic acid
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| Structure |
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| Formula |
C16H14BrN3O4
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| Molecular Weight |
392.209
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| Canonical SMILES |
OC(=O)C1CCN(Cc2nc3c4cc(Br)ccc4oc3c(=O)[nH]2)C1
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| InChI |
InChI=1S/C16H14BrN3O4/c17-9-1-2-11-10(5-9)13-14(24-11)15(21)19-12(18-13)7-20-4-3-8(6-20)16(22)23/h1-2,5,8H,3-4,6-7H2,(H,22,23)(H,18,19,21)
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| InChIKey |
XQEZXMGUDOPHOF-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