General Information of the Compound
| Compound ID |
CP0502566
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| Compound Name |
N-[1-[3-(4-acetamidophenyl)-3-(3-fluorophenyl)propyl]piperidin-4-yl]-N-ethyl-2-(4-methylsulfonylphenyl)acetamide
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| Structure |
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| Formula |
C33H40FN3O4S
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| Molecular Weight |
593.765
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| Canonical SMILES |
CCN(C1CCN(CCC(c2ccc(NC(C)=O)cc2)c2cccc(F)c2)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O
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| InChI |
InChI=1S/C33H40FN3O4S/c1-4-37(33(39)22-25-8-14-31(15-9-25)42(3,40)41)30-16-19-36(20-17-30)21-18-32(27-6-5-7-28(34)23-27)26-10-12-29(13-11-26)35-24(2)38/h5-15,23,30,32H,4,16-22H2,1-3H3,(H,35,38)
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| InChIKey |
DZYPRLBOUVHBFD-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