General Information of the Compound
| Compound ID |
CP0481403
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| Compound Name |
1-[6-(4-Methanesulfonyl-phenoxy)-5-nitro-pyrimidin-4-yl]-piperidine-4-carboxylic acid ethyl ester
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| Structure |
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| Formula |
C19H22N4O7S
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| Molecular Weight |
450.473
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| Canonical SMILES |
CCOC(=O)C1CCN(CC1)c1ncnc(Oc2ccc(cc2)S(C)(=O)=O)c1[N+]([O-])=O
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| InChI |
InChI=1S/C19H22N4O7S/c1-3-29-19(24)13-8-10-22(11-9-13)17-16(23(25)26)18(21-12-20-17)30-14-4-6-15(7-5-14)31(2,27)28/h4-7,12-13H,3,8-11H2,1-2H3
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| InChIKey |
GXDYPCVLMNSCLA-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