General Information of the Compound
| Compound ID |
CP0064465
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| Compound Name |
5-nitro-N-[4-[4-(phenylcarbonyl)piperazin-1-yl]phenyl]furan-2-carboxamide
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| Structure |
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| Formula |
C22H20N4O5
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| Molecular Weight |
420.425
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| Canonical SMILES |
[O-][N+](=O)c1ccc(o1)C(=O)Nc1ccc(cc1)N1CCN(CC1)C(=O)c1ccccc1
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| InChI |
InChI=1S/C22H20N4O5/c27-21(19-10-11-20(31-19)26(29)30)23-17-6-8-18(9-7-17)24-12-14-25(15-13-24)22(28)16-4-2-1-3-5-16/h1-11H,12-15H2,(H,23,27)
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| InChIKey |
UQNMPZMKCQSVEQ-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: PT06033, Microphthalmia-associated transcription factor
Protein ID: PT06124, Paired box protein Pax-8