General Information of the Compound
| Compound ID |
CP0395085
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| Compound Name |
1-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]azetidine-3-carboxylic acid
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| Structure |
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| Formula |
C19H19Cl2NO4
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| Molecular Weight |
396.27
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| Canonical SMILES |
COc1cc(CN2CC(C2)C(O)=O)ccc1OCc1ccc(Cl)cc1Cl
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| InChI |
InChI=1S/C19H19Cl2NO4/c1-25-18-6-12(8-22-9-14(10-22)19(23)24)2-5-17(18)26-11-13-3-4-15(20)7-16(13)21/h2-7,14H,8-11H2,1H3,(H,23,24)
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| InChIKey |
KOMZDIJMFFDGRK-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