General Information of the Compound
| Compound ID |
CP0495944
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| Compound Name |
N-[1-[3-(4-acetamidophenyl)-3-phenylpropyl]piperidin-4-yl]-N-ethyl-2-(4-methylsulfonylphenyl)acetamide
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| Structure |
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| Formula |
C33H41N3O4S
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| Molecular Weight |
575.775
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| Canonical SMILES |
CCN(C1CCN(CCC(c2ccccc2)c2ccc(NC(C)=O)cc2)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O
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| InChI |
InChI=1S/C33H41N3O4S/c1-4-36(33(38)24-26-10-16-31(17-11-26)41(3,39)40)30-18-21-35(22-19-30)23-20-32(27-8-6-5-7-9-27)28-12-14-29(15-13-28)34-25(2)37/h5-17,30,32H,4,18-24H2,1-3H3,(H,34,37)
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| InChIKey |
VNXYBRUSQZZOGE-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