General Information of the Compound
| Compound ID |
CP0178262
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| Compound Name |
1-[2-(4-methylsulfonylphenyl)ethyl]-4-[2-(4-nitrophenyl)ethyl]piperazine
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| Structure |
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| Formula |
C21H27N3O4S
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| Molecular Weight |
417.531
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| Canonical SMILES |
CS(=O)(=O)c1ccc(CCN2CCN(CCc3ccc(cc3)[N+]([O-])=O)CC2)cc1
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| InChI |
InChI=1S/C21H27N3O4S/c1-29(27,28)21-8-4-19(5-9-21)11-13-23-16-14-22(15-17-23)12-10-18-2-6-20(7-3-18)24(25)26/h2-9H,10-17H2,1H3
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| InChIKey |
VEFIVNQPGPGWPJ-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