General Information of the Compound
| Compound ID |
CP0029049
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| Compound Name |
8-bromo-2-[(2S)-1-methylpyrrolidin-2-yl]-3H-[1]benzofuro[3,2-d]pyrimidin-4-one
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| Structure |
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| Formula |
C15H14BrN3O2
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| Molecular Weight |
348.2
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| Canonical SMILES |
CN1CCC[C@H]1c1nc2c3cc(Br)ccc3oc2c(=O)[nH]1
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| InChI |
InChI=1S/C15H14BrN3O2/c1-19-6-2-3-10(19)14-17-12-9-7-8(16)4-5-11(9)21-13(12)15(20)18-14/h4-5,7,10H,2-3,6H2,1H3,(H,17,18,20)/t10-/m0/s1
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| InChIKey |
BNLHKRKGCKUVHA-JTQLQIEISA-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