General Information of the Compound
| Compound ID |
CP0536641
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| Compound Name |
2-ethyl-6-fluoro-3-[1-[3-(4-methylphenyl)sulfanylpropyl]piperidin-4-yl]-1H-indole
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| Structure |
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| Formula |
C25H31FN2S
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| Molecular Weight |
410.602
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| Canonical SMILES |
CCc1[nH]c2cc(F)ccc2c1C1CCN(CCCSc2ccc(C)cc2)CC1
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| InChI |
InChI=1S/C25H31FN2S/c1-3-23-25(22-10-7-20(26)17-24(22)27-23)19-11-14-28(15-12-19)13-4-16-29-21-8-5-18(2)6-9-21/h5-10,17,19,27H,3-4,11-16H2,1-2H3
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| InChIKey |
PEHVIDOBHKJWSJ-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: PT05277, C-C chemokine receptor type 3
Protein ID: PT04322, Probable C-C chemokine receptor type 3