General Information of the Compound
| Compound ID |
CP0402106
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| Compound Name |
1-[5-Nitro-6-(4-sulfamoyl-phenoxy)-pyrimidin-4-yl]-piperidine-4-carboxylic acid ethyl ester
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| Structure |
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| Formula |
C18H21N5O7S
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| Molecular Weight |
451.461
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| Canonical SMILES |
CCOC(=O)C1CCN(CC1)c1ncnc(Oc2ccc(cc2)S(N)(=O)=O)c1[N+]([O-])=O
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| InChI |
InChI=1S/C18H21N5O7S/c1-2-29-18(24)12-7-9-22(10-8-12)16-15(23(25)26)17(21-11-20-16)30-13-3-5-14(6-4-13)31(19,27)28/h3-6,11-12H,2,7-10H2,1H3,(H2,19,27,28)
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| InChIKey |
ARZIPPIZQPGTEA-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