General Information of the Compound
| Compound ID |
CP0392342
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| Compound Name |
N-[1-(3,3-diphenylpropyl)piperidin-4-yl]-N-methyl-3-nitrobenzamide
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| Structure |
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| Formula |
C28H31N3O3
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| Molecular Weight |
457.574
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| Canonical SMILES |
CN(C1CCN(CCC(c2ccccc2)c2ccccc2)CC1)C(=O)c1cccc(c1)[N+]([O-])=O
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| InChI |
InChI=1S/C28H31N3O3/c1-29(28(32)24-13-8-14-26(21-24)31(33)34)25-15-18-30(19-16-25)20-17-27(22-9-4-2-5-10-22)23-11-6-3-7-12-23/h2-14,21,25,27H,15-20H2,1H3
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| InChIKey |
MNSMUFDWZBKPPP-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