General Information of the Compound
| Compound ID |
CP0879706
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| Compound Name |
SID121283276
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| Structure |
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| Formula |
C19H18N6O4
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| Molecular Weight |
394.391
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| Canonical SMILES |
CC(=O)O.Nc1nc(N)c2c(ccc3c2ccn3Cc2cccc([N+](=O)[O-])c2)n1
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| InChI |
InChI=1S/C17H14N6O2.C2H4O2/c18-16-15-12-6-7-22(9-10-2-1-3-11(8-10)23(24)25)14(12)5-4-13(15)20-17(19)21-16;1-2(3)4/h1-8H,9H2,(H4,18,19,20,21);1H3,(H,3,4)
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| InChIKey |
UFFKDOLCUFDMQB-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: PT06172, Mothers against decapentaplegic homolog 3
Protein ID: PT06124, Paired box protein Pax-8