General Information of the Compound
| Compound ID |
CP0400263
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| Compound Name |
2-ethyl-3-[1-[3-(4-fluorophenyl)sulfanylpropyl]piperidin-4-yl]-1H-indole
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| Structure |
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| Formula |
C24H29FN2S
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| Molecular Weight |
396.575
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| Canonical SMILES |
CCc1[nH]c2ccccc2c1C1CCN(CCCSc2ccc(F)cc2)CC1
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| InChI |
InChI=1S/C24H29FN2S/c1-2-22-24(21-6-3-4-7-23(21)26-22)18-12-15-27(16-13-18)14-5-17-28-20-10-8-19(25)9-11-20/h3-4,6-11,18,26H,2,5,12-17H2,1H3
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| InChIKey |
NMYOEGLWLBKTCW-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