General Information of the Compound
| Compound ID |
CP0399231
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| Compound Name |
N-ethyl-N-[1-[(3R)-3-(3-methoxyphenyl)-3-(1-methylsulfonylpiperidin-4-yl)propyl]piperidin-4-yl]-2-(4-methylsulfonylphenyl)acetamide
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| Structure |
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| Formula |
C32H47N3O6S2
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| Molecular Weight |
633.877
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| Canonical SMILES |
CCN(C1CCN(CC[C@H](C2CCN(CC2)S(C)(=O)=O)c2cccc(OC)c2)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O
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| InChI |
InChI=1S/C32H47N3O6S2/c1-5-35(32(36)23-25-9-11-30(12-10-25)42(3,37)38)28-15-18-33(19-16-28)20-17-31(27-7-6-8-29(24-27)41-2)26-13-21-34(22-14-26)43(4,39)40/h6-12,24,26,28,31H,5,13-23H2,1-4H3/t31-/m1/s1
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| InChIKey |
STVUFIPEQOBZAX-WJOKGBTCSA-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