General Information of the Compound
| Compound ID |
CP0178261
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| Compound Name |
ethyl 4-[2-[4-[2-(4-nitrophenyl)ethyl]piperazin-1-yl]ethyl]benzoate
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| Structure |
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| Formula |
C23H29N3O4
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| Molecular Weight |
411.502
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| Canonical SMILES |
CCOC(=O)c1ccc(CCN2CCN(CCc3ccc(cc3)[N+]([O-])=O)CC2)cc1
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| InChI |
InChI=1S/C23H29N3O4/c1-2-30-23(27)21-7-3-19(4-8-21)11-13-24-15-17-25(18-16-24)14-12-20-5-9-22(10-6-20)26(28)29/h3-10H,2,11-18H2,1H3
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| InChIKey |
HXQUUYKDCWCSTP-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