General Information of the Compound
| Compound ID |
CP0467492
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| Compound Name |
1-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]azetidine-3-carboxylic acid
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| Structure |
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| Formula |
C19H20ClNO4
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| Molecular Weight |
361.825
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| Canonical SMILES |
COc1cc(CN2CC(C2)C(O)=O)ccc1OCc1ccccc1Cl
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| InChI |
InChI=1S/C19H20ClNO4/c1-24-18-8-13(9-21-10-15(11-21)19(22)23)6-7-17(18)25-12-14-4-2-3-5-16(14)20/h2-8,15H,9-12H2,1H3,(H,22,23)
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| InChIKey |
SDDACSRCXKTQLR-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