General Information of the Compound
| Compound ID |
CP0396925
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| Compound Name |
ethyl 2-[2-ethyl-6-fluoro-3-[1-[3-(4-fluorophenyl)sulfanylpropyl]piperidin-4-yl]indol-1-yl]acetate
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| Structure |
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| Formula |
C28H34F2N2O2S
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| Molecular Weight |
500.655
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| Canonical SMILES |
CCOC(=O)Cn1c(CC)c(C2CCN(CCCSc3ccc(F)cc3)CC2)c2ccc(F)cc12
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| InChI |
InChI=1S/C28H34F2N2O2S/c1-3-25-28(24-11-8-22(30)18-26(24)32(25)19-27(33)34-4-2)20-12-15-31(16-13-20)14-5-17-35-23-9-6-21(29)7-10-23/h6-11,18,20H,3-5,12-17,19H2,1-2H3
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| InChIKey |
MAFSPAYMPQWVRE-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: PT01215, C-C chemokine receptor type 3
Protein ID: PT04322, Probable C-C chemokine receptor type 3