General Information of the Compound
| Compound ID |
CP0469260
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| Compound Name |
1-[[4-(4-chlorophenoxy)phenyl]methyl]azetidine-3-carboxylic acid
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| Structure |
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| Formula |
C17H16ClNO3
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| Molecular Weight |
317.772
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| Canonical SMILES |
OC(=O)C1CN(Cc2ccc(Oc3ccc(Cl)cc3)cc2)C1
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| InChI |
InChI=1S/C17H16ClNO3/c18-14-3-7-16(8-4-14)22-15-5-1-12(2-6-15)9-19-10-13(11-19)17(20)21/h1-8,13H,9-11H2,(H,20,21)
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| InChIKey |
UPNMEBNZUWMJKT-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