General Information of the Compound
| Compound ID |
CP0474284
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| Compound Name |
[3-[1-[3-(4-fluorophenyl)sulfanylpropyl]piperidin-4-yl]-1H-indol-2-yl]methanol
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| Structure |
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| Formula |
C23H27FN2OS
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| Molecular Weight |
398.547
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| Canonical SMILES |
OCc1[nH]c2ccccc2c1C1CCN(CCCSc2ccc(F)cc2)CC1
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| InChI |
InChI=1S/C23H27FN2OS/c24-18-6-8-19(9-7-18)28-15-3-12-26-13-10-17(11-14-26)23-20-4-1-2-5-21(20)25-22(23)16-27/h1-2,4-9,17,25,27H,3,10-16H2
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| InChIKey |
IVMJBDLZRRUJCW-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