General Information of the Compound
| Compound ID |
CP0433174
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| Compound Name |
2-ethyl-6-fluoro-3-[1-[3-(4-fluorophenyl)sulfanylpropyl]piperidin-4-yl]-1-phenylindole
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| Structure |
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| Formula |
C30H32F2N2S
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| Molecular Weight |
490.663
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| Canonical SMILES |
CCc1c(C2CCN(CCCSc3ccc(F)cc3)CC2)c2ccc(F)cc2n1-c1ccccc1
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| InChI |
InChI=1S/C30H32F2N2S/c1-2-28-30(27-14-11-24(32)21-29(27)34(28)25-7-4-3-5-8-25)22-15-18-33(19-16-22)17-6-20-35-26-12-9-23(31)10-13-26/h3-5,7-14,21-22H,2,6,15-20H2,1H3
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| InChIKey |
YWGYONXMCGHURW-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