General Information of the Compound
| Compound ID |
CP0200085
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| Compound Name |
4-[4-[2-[4-[2-(4-nitrophenyl)ethyl]piperazin-1-yl]ethyl]phenyl]-3H-2-benzofuran-1-one
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| Structure |
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| Formula |
C28H29N3O4
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| Molecular Weight |
471.557
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| Canonical SMILES |
[O-][N+](=O)c1ccc(CCN2CCN(CCc3ccc(cc3)-c3cccc4C(=O)OCc34)CC2)cc1
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| InChI |
InChI=1S/C28H29N3O4/c32-28-26-3-1-2-25(27(26)20-35-28)23-8-4-21(5-9-23)12-14-29-16-18-30(19-17-29)15-13-22-6-10-24(11-7-22)31(33)34/h1-11H,12-20H2
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| InChIKey |
PLCSPMWUVPYGEZ-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