General Information of the Compound
| Compound ID |
CP0234704
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| Compound Name |
ethyl 4-[2-ethyl-6-fluoro-3-[1-[3-(4-fluorophenyl)sulfanylpropyl]piperidin-4-yl]indol-1-yl]benzoate
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| Structure |
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| Formula |
C33H36F2N2O2S
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| Molecular Weight |
562.726
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| Canonical SMILES |
CCOC(=O)c1ccc(cc1)-n1c(CC)c(C2CCN(CCCSc3ccc(F)cc3)CC2)c2ccc(F)cc12
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| InChI |
InChI=1S/C33H36F2N2O2S/c1-3-30-32(23-16-19-36(20-17-23)18-5-21-40-28-13-8-25(34)9-14-28)29-15-10-26(35)22-31(29)37(30)27-11-6-24(7-12-27)33(38)39-4-2/h6-15,22-23H,3-5,16-21H2,1-2H3
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| InChIKey |
JRCSAKBNGXSAGM-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