General Information of the Compound
| Compound ID |
CP0126071
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| Compound Name |
MLS000712446
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| Structure |
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| Formula |
C11H7N5O6
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| Molecular Weight |
305.206
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| Canonical SMILES |
[O-][N+](=O)c1cc(c(Nc2ccccn2)c(c1)[N+]([O-])=O)[N+]([O-])=O
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| InChI |
InChI=1S/C11H7N5O6/c17-14(18)7-5-8(15(19)20)11(9(6-7)16(21)22)13-10-3-1-2-4-12-10/h1-6H,(H,12,13)
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| InChIKey |
DIPBIKKKLNWSEW-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