General Information of the Compound
| Compound ID |
CP0545008
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| Compound Name |
1-[[4-[(3,4-dichlorophenyl)methoxy]-2-methylphenyl]methyl]azetidine-3-carboxylic acid
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| Structure |
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| Formula |
C19H19Cl2NO3
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| Molecular Weight |
380.271
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| Canonical SMILES |
Cc1cc(OCc2ccc(Cl)c(Cl)c2)ccc1CN1CC(C1)C(O)=O
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| InChI |
InChI=1S/C19H19Cl2NO3/c1-12-6-16(25-11-13-2-5-17(20)18(21)7-13)4-3-14(12)8-22-9-15(10-22)19(23)24/h2-7,15H,8-11H2,1H3,(H,23,24)
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| InChIKey |
XNKYXYWPDUHBSC-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