General Information of the Compound
| Compound ID |
CP0736424
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| Compound Name |
SID24788030
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| Structure |
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| Formula |
C16H12N4O4
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| Molecular Weight |
324.296
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| Canonical SMILES |
COc1ccc(C(=O)/C(C#N)=N/Nc2cccc([N+](=O)[O-])c2)cc1
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| InChI |
InChI=1S/C16H12N4O4/c1-24-14-7-5-11(6-8-14)16(21)15(10-17)19-18-12-3-2-4-13(9-12)20(22)23/h2-9,18H,1H3/b19-15+
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| InChIKey |
VWVVFKWZQCSTGM-XDJHFCHBSA-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: PT06172, Mothers against decapentaplegic homolog 3