General Information of the Compound
| Compound ID |
CP0475006
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| Compound Name |
3-[[(E)-3-[2-methoxy-4-(4-phenylbutoxy)phenyl]prop-2-enyl]amino]propanoic acid
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| Structure |
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| Formula |
C23H29NO4
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| Molecular Weight |
383.488
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| Canonical SMILES |
COc1cc(OCCCCc2ccccc2)ccc1\C=C\CNCCC(O)=O
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| InChI |
InChI=1S/C23H29NO4/c1-27-22-18-21(28-17-6-5-10-19-8-3-2-4-9-19)13-12-20(22)11-7-15-24-16-14-23(25)26/h2-4,7-9,11-13,18,24H,5-6,10,14-17H2,1H3,(H,25,26)/b11-7+
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| InChIKey |
RZVBWPXYDFOCRF-YRNVUSSQSA-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