General Information of the Compound
| Compound ID |
CP0691324
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| Compound Name |
SID24824109
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| Structure |
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| Formula |
C15H12N4O5S
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| Molecular Weight |
360.351
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| Canonical SMILES |
CC(=O)N1CCc2c(sc(NC(=O)c3ccc([N+](=O)[O-])o3)c2C#N)C1
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| InChI |
InChI=1S/C15H12N4O5S/c1-8(20)18-5-4-9-10(6-16)15(25-12(9)7-18)17-14(21)11-2-3-13(24-11)19(22)23/h2-3H,4-5,7H2,1H3,(H,17,21)
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| InChIKey |
HNCBLYGQFOIUEM-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: PT06033, Microphthalmia-associated transcription factor
Protein ID: PT06172, Mothers against decapentaplegic homolog 3
Protein ID: PT06124, Paired box protein Pax-8