General Information of the Compound
| Compound ID |
CP0390011
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| Compound Name |
3-[5-chloro-4-[3-[4-(cyclopentanecarbonyl)piperazin-1-yl]-1,2,4-oxadiazol-5-yl]-2-fluorophenoxy]propanoic acid
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| Structure |
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| Formula |
C21H24ClFN4O5
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| Molecular Weight |
466.897
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| Canonical SMILES |
OC(=O)CCOc1cc(Cl)c(cc1F)-c1nc(no1)N1CCN(CC1)C(=O)C1CCCC1
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| InChI |
InChI=1S/C21H24ClFN4O5/c22-15-12-17(31-10-5-18(28)29)16(23)11-14(15)19-24-21(25-32-19)27-8-6-26(7-9-27)20(30)13-3-1-2-4-13/h11-13H,1-10H2,(H,28,29)
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| InChIKey |
RNKRXIVHRRCQAV-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: PT01688, Sphingosine 1-phosphate receptor 1
Protein ID: PT01838, Sphingosine 1-phosphate receptor 3