General Information of the Compound
| Compound ID |
CP0438185
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| Compound Name |
N-[1-[(3R)-3-(3,5-dimethylphenyl)-3-(1-methylsulfonylpiperidin-4-yl)propyl]piperidin-4-yl]-N-ethyl-2-(4-methylsulfonylphenyl)acetamide
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| Structure |
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| Formula |
C33H49N3O5S2
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| Molecular Weight |
631.905
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| Canonical SMILES |
CCN(C1CCN(CC[C@H](C2CCN(CC2)S(C)(=O)=O)c2cc(C)cc(C)c2)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O
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| InChI |
InChI=1S/C33H49N3O5S2/c1-6-36(33(37)24-27-7-9-31(10-8-27)42(4,38)39)30-13-16-34(17-14-30)18-15-32(29-22-25(2)21-26(3)23-29)28-11-19-35(20-12-28)43(5,40)41/h7-10,21-23,28,30,32H,6,11-20,24H2,1-5H3/t32-/m1/s1
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| InChIKey |
IKWARAQMGAFTPX-JGCGQSQUSA-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