General Information of the Compound
| Compound ID |
CP0554361
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| Compound Name |
1-[6-(4-bromo-phenoxy)-5-nitro-pyrimidin-4-yl]-piperidine-4-carboxylic acid ethyl ester
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| Structure |
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| Formula |
C18H19BrN4O5
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| Molecular Weight |
451.277
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| Canonical SMILES |
CCOC(=O)C1CCN(CC1)c1ncnc(Oc2ccc(Br)cc2)c1[N+]([O-])=O
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| InChI |
InChI=1S/C18H19BrN4O5/c1-2-27-18(24)12-7-9-22(10-8-12)16-15(23(25)26)17(21-11-20-16)28-14-5-3-13(19)4-6-14/h3-6,11-12H,2,7-10H2,1H3
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| InChIKey |
KXEOMAICDAIJHB-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