General Information of the Compound
| Compound ID |
CP0908685
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| Compound Name |
SID24830873
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| Structure |
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| Formula |
C16H12N4O
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| Molecular Weight |
276.299
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| Canonical SMILES |
Cc1nn(-c2nc3ccccc3[nH]2)c(=O)c2ccccc12
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| InChI |
InChI=1S/C16H12N4O/c1-10-11-6-2-3-7-12(11)15(21)20(19-10)16-17-13-8-4-5-9-14(13)18-16/h2-9H,1H3,(H,17,18)
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| InChIKey |
OAWGMLUPQJLXHH-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: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06124, Paired box protein Pax-8