General Information of the Compound
| Compound ID |
CP0392399
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| Compound Name |
N-[1-(3,3-diphenylpropyl)piperidin-4-yl]-2-(4-nitrophenyl)-N-prop-2-enylacetamide
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| Structure |
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| Formula |
C31H35N3O3
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| Molecular Weight |
497.639
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| Canonical SMILES |
[O-][N+](=O)c1ccc(CC(=O)N(CC=C)C2CCN(CCC(c3ccccc3)c3ccccc3)CC2)cc1
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| InChI |
InChI=1S/C31H35N3O3/c1-2-20-33(31(35)24-25-13-15-29(16-14-25)34(36)37)28-17-21-32(22-18-28)23-19-30(26-9-5-3-6-10-26)27-11-7-4-8-12-27/h2-16,28,30H,1,17-24H2
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| InChIKey |
AKEHDJQAUFRJKQ-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