General Information of the Compound
| Compound ID |
CP0857596
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| Compound Name |
rac-6-fluoro-3-(1-(3-(4-fluorophenylthio)propyl)piperidin-4-yl)-2-(1-methoxyethyl)-1H-indole
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| Structure |
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| Formula |
C25H30F2N2OS
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| Molecular Weight |
444.591
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| Canonical SMILES |
COC(C)c1[nH]c2cc(F)ccc2c1C1CCN(CCCSc2ccc(F)cc2)CC1
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| InChI |
InChI=1S/C25H30F2N2OS/c1-17(30-2)25-24(22-9-6-20(27)16-23(22)28-25)18-10-13-29(14-11-18)12-3-15-31-21-7-4-19(26)5-8-21/h4-9,16-18,28H,3,10-15H2,1-2H3
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| InChIKey |
IREPBLFFNURPJE-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