General Information of the Compound
| Compound ID |
CP0480441
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| Compound Name |
1-[(E)-3-[4-(3-phenylpropoxy)phenyl]prop-2-enyl]azetidine-3-carboxylic acid
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| Structure |
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| Formula |
C22H25NO3
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| Molecular Weight |
351.446
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| Canonical SMILES |
OC(=O)C1CN(C\C=C\c2ccc(OCCCc3ccccc3)cc2)C1
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| InChI |
InChI=1S/C22H25NO3/c24-22(25)20-16-23(17-20)14-4-8-19-10-12-21(13-11-19)26-15-5-9-18-6-2-1-3-7-18/h1-4,6-8,10-13,20H,5,9,14-17H2,(H,24,25)/b8-4+
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| InChIKey |
ZSUDJDWTJJCLOM-XBXARRHUSA-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