General Information of the Compound
| Compound ID |
CP0372686
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| Compound Name |
N-[1-[3-[4-(benzylsulfonylamino)phenyl]-3-phenylpropyl]piperidin-4-yl]-N-ethyl-2-(4-methylsulfonylphenyl)acetamide
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| Structure |
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| Formula |
C38H45N3O5S2
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| Molecular Weight |
687.928
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| Canonical SMILES |
CCN(C1CCN(CCC(c2ccccc2)c2ccc(NS(=O)(=O)Cc3ccccc3)cc2)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O
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| InChI |
InChI=1S/C38H45N3O5S2/c1-3-41(38(42)28-30-14-20-36(21-15-30)47(2,43)44)35-22-25-40(26-23-35)27-24-37(32-12-8-5-9-13-32)33-16-18-34(19-17-33)39-48(45,46)29-31-10-6-4-7-11-31/h4-21,35,37,39H,3,22-29H2,1-2H3
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| InChIKey |
WXPALFNOHPEXQH-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