General Information of the Compound
| Compound ID |
CP0444335
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| Compound Name |
US10179791, Compound 258
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| Structure |
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| Formula |
C26H33NO4
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| Molecular Weight |
423.553
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| Canonical SMILES |
CCc1cccc(CC)c1COc1ccc2c(OCC22CCN(CCC(O)=O)CC2)c1
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| InChI |
InChI=1S/C26H33NO4/c1-3-19-6-5-7-20(4-2)22(19)17-30-21-8-9-23-24(16-21)31-18-26(23)11-14-27(15-12-26)13-10-25(28)29/h5-9,16H,3-4,10-15,17-18H2,1-2H3,(H,28,29)
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| InChIKey |
DILULWYUWAMYNU-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: PT01838, Sphingosine 1-phosphate receptor 3
Protein ID: PT01780, Sphingosine 1-phosphate receptor 5