General Information of the Compound
| Compound ID |
CP0408158
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| Compound Name |
5-(4-cyclohexylphenyl)-3-o-tolyl-1,2,4-oxadiazole
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| Structure |
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| Formula |
C21H22N2O
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| Molecular Weight |
318.42
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| Canonical SMILES |
Cc1ccccc1-c1noc(n1)-c1ccc(cc1)C1CCCCC1
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| InChI |
InChI=1S/C21H22N2O/c1-15-7-5-6-10-19(15)20-22-21(24-23-20)18-13-11-17(12-14-18)16-8-3-2-4-9-16/h5-7,10-14,16H,2-4,8-9H2,1H3
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| InChIKey |
UTDMZFXOTRMGDB-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: PT01837, Sphingosine 1-phosphate receptor 2
Protein ID: PT01838, Sphingosine 1-phosphate receptor 3
Protein ID: PT01779, Sphingosine 1-phosphate receptor 4
Protein ID: PT01780, Sphingosine 1-phosphate receptor 5