General Information of the Compound
| Compound ID |
CP0528512
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| Compound Name |
1-{6-[4-(2-Methoxycarbonyl-acetyl)-phenoxy]-5-nitro-pyrimidin-4-yl}-piperidine-4-carboxylic acid ethyl ester
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| Structure |
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| Formula |
C22H24N4O8
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| Molecular Weight |
472.454
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| Canonical SMILES |
CCOC(=O)C1CCN(CC1)c1ncnc(Oc2ccc(cc2)C(=O)CC(=O)OC)c1[N+]([O-])=O
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| InChI |
InChI=1S/C22H24N4O8/c1-3-33-22(29)15-8-10-25(11-9-15)20-19(26(30)31)21(24-13-23-20)34-16-6-4-14(5-7-16)17(27)12-18(28)32-2/h4-7,13,15H,3,8-12H2,1-2H3
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| InChIKey |
WVXNTMHIBPWSRW-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