General Information of the Compound
| Compound ID |
CP0524709
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| Compound Name |
N-ethyl-2-(4-methylsulfonylphenyl)-N-[1-[3-(4-methylsulfonylpiperazin-1-yl)-3-phenylpropyl]piperidin-4-yl]acetamide
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| Structure |
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| Formula |
C30H44N4O5S2
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| Molecular Weight |
604.839
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| Canonical SMILES |
CCN(C1CCN(CCC(N2CCN(CC2)S(C)(=O)=O)c2ccccc2)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O
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| InChI |
InChI=1S/C30H44N4O5S2/c1-4-34(30(35)24-25-10-12-28(13-11-25)40(2,36)37)27-14-17-31(18-15-27)19-16-29(26-8-6-5-7-9-26)32-20-22-33(23-21-32)41(3,38)39/h5-13,27,29H,4,14-24H2,1-3H3
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| InChIKey |
UBUVIBVKTHGWMX-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
Protein ID: PT00903, C-C chemokine receptor type 5
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2