General Information of the Compound
| Compound ID |
CP0428020
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| Compound Name |
N-ethyl-2-(4-methylsulfonylphenyl)-N-[1-[3-phenyl-3-(4-phenylphenyl)propyl]piperidin-4-yl]acetamide
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| Structure |
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| Formula |
C37H42N2O3S
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| Molecular Weight |
594.821
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| Canonical SMILES |
CCN(C1CCN(CCC(c2ccccc2)c2ccc(cc2)-c2ccccc2)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O
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| InChI |
InChI=1S/C37H42N2O3S/c1-3-39(37(40)28-29-14-20-35(21-15-29)43(2,41)42)34-22-25-38(26-23-34)27-24-36(32-12-8-5-9-13-32)33-18-16-31(17-19-33)30-10-6-4-7-11-30/h4-21,34,36H,3,22-28H2,1-2H3
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| InChIKey |
ORGLUDXXKOGZIV-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