General Information of the Compound
| Compound ID |
CP0541087
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| Compound Name |
2-(4-nitrophenyl)-1-[4-[2-(4-nitrophenyl)ethyl]piperazin-1-yl]ethanone
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| Structure |
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| Formula |
C20H22N4O5
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| Molecular Weight |
398.419
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| Canonical SMILES |
[O-][N+](=O)c1ccc(CCN2CCN(CC2)C(=O)Cc2ccc(cc2)[N+]([O-])=O)cc1
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| InChI |
InChI=1S/C20H22N4O5/c25-20(15-17-3-7-19(8-4-17)24(28)29)22-13-11-21(12-14-22)10-9-16-1-5-18(6-2-16)23(26)27/h1-8H,9-15H2
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| InChIKey |
HKQOYSCGJPIZFG-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