General Information of the Compound
| Compound ID |
CP0176768
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| Compound Name |
5-Nitro-furan-2-carboxylic acid [4-(4-acetyl-piperazin-1-yl)-3-chloro-phenyl]-amide
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| Structure |
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| Formula |
C17H17ClN4O5
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| Molecular Weight |
392.799
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| Canonical SMILES |
CC(=O)N1CCN(CC1)c1ccc(NC(=O)c2ccc(o2)[N+]([O-])=O)cc1Cl
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| InChI |
InChI=1S/C17H17ClN4O5/c1-11(23)20-6-8-21(9-7-20)14-3-2-12(10-13(14)18)19-17(24)15-4-5-16(27-15)22(25)26/h2-5,10H,6-9H2,1H3,(H,19,24)
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| InChIKey |
RWGUUUHHMXJKJF-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: PT06124, Paired box protein Pax-8