General Information of the Compound
| Compound ID |
CP0380926
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| Compound Name |
2-[2-ethyl-6-fluoro-3-[1-[3-(4-fluorophenyl)sulfanylpropyl]piperidin-4-yl]indol-1-yl]pyridine-4-carboxylic acid
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| Structure |
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| Formula |
C30H31F2N3O2S
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| Molecular Weight |
535.66
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| Canonical SMILES |
CCc1c(C2CCN(CCCSc3ccc(F)cc3)CC2)c2ccc(F)cc2n1-c1cc(ccn1)C(O)=O
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| InChI |
InChI=1S/C30H31F2N3O2S/c1-2-26-29(20-11-15-34(16-12-20)14-3-17-38-24-7-4-22(31)5-8-24)25-9-6-23(32)19-27(25)35(26)28-18-21(30(36)37)10-13-33-28/h4-10,13,18-20H,2-3,11-12,14-17H2,1H3,(H,36,37)
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| InChIKey |
OVJKHLOCYYVIIT-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