General Information of the Compound
| Compound ID |
CP0524922
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| Compound Name |
N-ethyl-2-(4-methylsulfonylphenyl)-N-[1-[(3R)-3-(1-methylsulfonylpiperidin-4-yl)-3-[3-(trifluoromethyl)phenyl]propyl]piperidin-4-yl]acetamide
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| Structure |
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| Formula |
C32H44F3N3O5S2
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| Molecular Weight |
671.848
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| Canonical SMILES |
CCN(C1CCN(CC[C@H](C2CCN(CC2)S(C)(=O)=O)c2cccc(c2)C(F)(F)F)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O
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| InChI |
InChI=1S/C32H44F3N3O5S2/c1-4-38(31(39)22-24-8-10-29(11-9-24)44(2,40)41)28-14-17-36(18-15-28)19-16-30(25-12-20-37(21-13-25)45(3,42)43)26-6-5-7-27(23-26)32(33,34)35/h5-11,23,25,28,30H,4,12-22H2,1-3H3/t30-/m1/s1
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| InChIKey |
VVWTYHCFZJLFJA-SSEXGKCCSA-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