General Information of the Compound
| Compound ID |
CP0435803
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| Compound Name |
6-amino-5-[1-(2-methoxyphenyl)-2-nitro-ethyl]-1,3-dimethyl-pyrimidine-2,4-quinone
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| Structure |
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| Formula |
C15H18N4O5
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| Molecular Weight |
334.332
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| Canonical SMILES |
COc1ccccc1C(C[N+]([O-])=O)c1c(N)n(C)c(=O)n(C)c1=O
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| InChI |
InChI=1S/C15H18N4O5/c1-17-13(16)12(14(20)18(2)15(17)21)10(8-19(22)23)9-6-4-5-7-11(9)24-3/h4-7,10H,8,16H2,1-3H3
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| InChIKey |
RCJPUSOUOAULCR-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
Protein ID: PT06109, Geminin
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT01214, Tyrosine-protein kinase JAK2