General Information of the Compound
| Compound ID |
CP0390374
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| Compound Name |
1-[[4-(4-methylphenyl)phenyl]methyl]azetidine-3-carboxylic acid
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| Structure |
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| Formula |
C18H19NO2
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| Molecular Weight |
281.355
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| Canonical SMILES |
Cc1ccc(cc1)-c1ccc(CN2CC(C2)C(O)=O)cc1
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| InChI |
InChI=1S/C18H19NO2/c1-13-2-6-15(7-3-13)16-8-4-14(5-9-16)10-19-11-17(12-19)18(20)21/h2-9,17H,10-12H2,1H3,(H,20,21)
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| InChIKey |
FVHPVOYRHVTLRW-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
Protein ID: PT01780, Sphingosine 1-phosphate receptor 5