General Information of the Compound
| Compound ID |
CP0474283
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| Compound Name |
4-[3-[4-(2-ethyl-6-fluoro-1H-indol-3-yl)piperidin-1-yl]propylsulfanyl]benzamide
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| Structure |
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| Formula |
C25H30FN3OS
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| Molecular Weight |
439.6
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| Canonical SMILES |
CCc1[nH]c2cc(F)ccc2c1C1CCN(CCCSc2ccc(cc2)C(N)=O)CC1
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| InChI |
InChI=1S/C25H30FN3OS/c1-2-22-24(21-9-6-19(26)16-23(21)28-22)17-10-13-29(14-11-17)12-3-15-31-20-7-4-18(5-8-20)25(27)30/h4-9,16-17,28H,2-3,10-15H2,1H3,(H2,27,30)
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| InChIKey |
CRBGNOGVLJKUSQ-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