General Information of the Compound
| Compound ID |
CP0362500
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| Compound Name |
4-[[2-ethyl-6-fluoro-3-[1-[3-(4-fluorophenyl)sulfanylpropyl]piperidin-4-yl]indol-1-yl]methyl]benzoic acid
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| Structure |
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| Formula |
C32H34F2N2O2S
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| Molecular Weight |
548.699
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| Canonical SMILES |
CCc1c(C2CCN(CCCSc3ccc(F)cc3)CC2)c2ccc(F)cc2n1Cc1ccc(cc1)C(O)=O
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| InChI |
InChI=1S/C32H34F2N2O2S/c1-2-29-31(23-14-17-35(18-15-23)16-3-19-39-27-11-8-25(33)9-12-27)28-13-10-26(34)20-30(28)36(29)21-22-4-6-24(7-5-22)32(37)38/h4-13,20,23H,2-3,14-19,21H2,1H3,(H,37,38)
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| InChIKey |
ZQJAWBVNTLAXOW-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: PT05277, C-C chemokine receptor type 3
Protein ID: PT01215, C-C chemokine receptor type 3