General Information of the Compound
| Compound ID |
CP0406229
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| Compound Name |
1-[[4-(3,5-dichlorophenyl)phenyl]methyl]azetidine-3-carboxylic acid
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| Structure |
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| Formula |
C17H15Cl2NO2
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| Molecular Weight |
336.218
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| Canonical SMILES |
OC(=O)C1CN(Cc2ccc(cc2)-c2cc(Cl)cc(Cl)c2)C1
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| InChI |
InChI=1S/C17H15Cl2NO2/c18-15-5-13(6-16(19)7-15)12-3-1-11(2-4-12)8-20-9-14(10-20)17(21)22/h1-7,14H,8-10H2,(H,21,22)
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| InChIKey |
OMPONMIHTSIPMX-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