General Information of the Compound
| Compound ID |
CP0395056
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| Compound Name |
1-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]azetidine-3-carboxylic acid
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| Structure |
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| Formula |
C18H17Cl2NO3
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| Molecular Weight |
366.244
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| Canonical SMILES |
OC(=O)C1CN(Cc2ccc(OCc3ccc(Cl)cc3Cl)cc2)C1
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| InChI |
InChI=1S/C18H17Cl2NO3/c19-15-4-3-13(17(20)7-15)11-24-16-5-1-12(2-6-16)8-21-9-14(10-21)18(22)23/h1-7,14H,8-11H2,(H,22,23)
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| InChIKey |
KLZLCOULUPUMAI-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: PT01780, Sphingosine 1-phosphate receptor 5