General Information of the Compound
| Compound ID |
CP0213915
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| Compound Name |
ethyl 4-[[2-[2-(4-nitrophenyl)-2-oxoethyl]sulfanylpyrimidin-4-yl]amino]benzoate
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| Structure |
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| Formula |
C21H18N4O5S
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| Molecular Weight |
438.465
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| Canonical SMILES |
CCOC(=O)c1ccc(Nc2ccnc(SCC(=O)c3ccc(cc3)[N+]([O-])=O)n2)cc1
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| InChI |
InChI=1S/C21H18N4O5S/c1-2-30-20(27)15-3-7-16(8-4-15)23-19-11-12-22-21(24-19)31-13-18(26)14-5-9-17(10-6-14)25(28)29/h3-12H,2,13H2,1H3,(H,22,23,24)
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| InChIKey |
WFYJBJASNVFRDR-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