General Information of the Compound
| Compound ID |
CP0486416
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| Compound Name |
N-[1-(3,3-diphenylpropyl)piperidin-4-yl]-N-methyl-2-(4-methylsulfanylphenyl)acetamide
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| Structure |
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| Formula |
C30H36N2OS
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| Molecular Weight |
472.698
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| Canonical SMILES |
CSc1ccc(CC(=O)N(C)C2CCN(CCC(c3ccccc3)c3ccccc3)CC2)cc1
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| InChI |
InChI=1S/C30H36N2OS/c1-31(30(33)23-24-13-15-28(34-2)16-14-24)27-17-20-32(21-18-27)22-19-29(25-9-5-3-6-10-25)26-11-7-4-8-12-26/h3-16,27,29H,17-23H2,1-2H3
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| InChIKey |
MZZDXMGTWNXCBS-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