General Information of the Compound
| Compound ID |
CP0448929
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| Compound Name |
[4-(3-nitropyridin-2-yl)piperazin-1-yl]-quinoxalin-2-ylmethanone
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| Structure |
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| Formula |
C18H16N6O3
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| Molecular Weight |
364.365
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| Canonical SMILES |
[O-][N+](=O)c1cccnc1N1CCN(CC1)C(=O)c1cnc2ccccc2n1
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| InChI |
InChI=1S/C18H16N6O3/c25-18(15-12-20-13-4-1-2-5-14(13)21-15)23-10-8-22(9-11-23)17-16(24(26)27)6-3-7-19-17/h1-7,12H,8-11H2
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| InChIKey |
OGJDPWUWMJHCLG-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