General Information of the Compound
| Compound ID |
CP0873287
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| Compound Name |
N-[1-[3-(4-cyanophenyl)-3-phenylpropyl]piperidin-4-yl]-N-ethyl-2-(4-methylsulfonylphenyl)acetamide
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| Structure |
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| Formula |
C32H37N3O3S
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| Molecular Weight |
543.733
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| Canonical SMILES |
CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CCC(c2ccccc2)c2ccc(C#N)cc2)CC1
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| InChI |
InChI=1S/C32H37N3O3S/c1-3-35(32(36)23-25-11-15-30(16-12-25)39(2,37)38)29-17-20-34(21-18-29)22-19-31(27-7-5-4-6-8-27)28-13-9-26(24-33)10-14-28/h4-16,29,31H,3,17-23H2,1-2H3
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| InChIKey |
DIPLNRQADIPKHH-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