General Information of the Compound
| Compound ID |
CP0017519
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| Compound Name |
8-bromo-2-[(2S,4R)-4-hydroxypyrrolidin-2-yl]-3H-[1]benzofuro[3,2-d]pyrimidin-4-one
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| Structure |
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| Formula |
C14H12BrN3O3
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| Molecular Weight |
350.172
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| Canonical SMILES |
O[C@H]1CN[C@@H](C1)c1nc2c3cc(Br)ccc3oc2c(=O)[nH]1
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| InChI |
InChI=1S/C14H12BrN3O3/c15-6-1-2-10-8(3-6)11-12(21-10)14(20)18-13(17-11)9-4-7(19)5-16-9/h1-3,7,9,16,19H,4-5H2,(H,17,18,20)/t7-,9+/m1/s1
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| InChIKey |
CNVDRXITZNMNTP-APPZFPTMSA-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