General Information of the Compound
| Compound ID |
CP0492133
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| Compound Name |
3-[[(E)-2-methyl-3-[4-(3-phenylpropoxy)phenyl]prop-2-enyl]amino]propanoic acid
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| Structure |
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| Formula |
C22H27NO3
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| Molecular Weight |
353.462
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| Canonical SMILES |
C\C(CNCCC(O)=O)=C/c1ccc(OCCCc2ccccc2)cc1
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| InChI |
InChI=1S/C22H27NO3/c1-18(17-23-14-13-22(24)25)16-20-9-11-21(12-10-20)26-15-5-8-19-6-3-2-4-7-19/h2-4,6-7,9-12,16,23H,5,8,13-15,17H2,1H3,(H,24,25)/b18-16+
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| InChIKey |
LWGLHUCXBRBGGT-FBMGVBCBSA-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