General Information of the Compound
| Compound ID |
CP0238291
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| Compound Name |
5-[2-[4-[2-(4-nitrophenyl)ethyl]piperazin-1-yl]-2-oxoethyl]-3H-2-benzofuran-1-one
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| Structure |
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| Formula |
C22H23N3O5
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| Molecular Weight |
409.442
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| Canonical SMILES |
[O-][N+](=O)c1ccc(CCN2CCN(CC2)C(=O)Cc2ccc3C(=O)OCc3c2)cc1
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| InChI |
InChI=1S/C22H23N3O5/c26-21(14-17-3-6-20-18(13-17)15-30-22(20)27)24-11-9-23(10-12-24)8-7-16-1-4-19(5-2-16)25(28)29/h1-6,13H,7-12,14-15H2
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| InChIKey |
OYNPHFRQUFYXCN-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