General Information of the Compound
| Compound ID |
CP0428056
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| Compound Name |
N-ethyl-N-[1-[3-(3-fluorophenyl)-3-[4-(methanesulfonamido)phenyl]propyl]piperidin-4-yl]-2-(4-methylsulfonylphenyl)acetamide
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| Structure |
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| Formula |
C32H40FN3O5S2
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| Molecular Weight |
629.82
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| Canonical SMILES |
CCN(C1CCN(CCC(c2ccc(NS(C)(=O)=O)cc2)c2cccc(F)c2)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O
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| InChI |
InChI=1S/C32H40FN3O5S2/c1-4-36(32(37)22-24-8-14-30(15-9-24)42(2,38)39)29-16-19-35(20-17-29)21-18-31(26-6-5-7-27(33)23-26)25-10-12-28(13-11-25)34-43(3,40)41/h5-15,23,29,31,34H,4,16-22H2,1-3H3
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| InChIKey |
IMIFOGWSXLBSEK-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