General Information of the Compound
| Compound ID |
CP0854263
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| Compound Name |
2-amino-4-(4-(4-(2-ethyl-1H-imidazol-4-yl)phenoxy)phenyl)-2-(hydroxymethyl)butyl dihydrogen phosphate
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| Structure |
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| Formula |
C22H28N3O6P
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| Molecular Weight |
461.455
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| Canonical SMILES |
CCc1nc(-c2ccc(Oc3ccc(CCC(N)(CO)COP(=O)(O)O)cc3)cc2)c[nH]1
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| InChI |
InChI=1S/C22H28N3O6P/c1-2-21-24-13-20(25-21)17-5-9-19(10-6-17)31-18-7-3-16(4-8-18)11-12-22(23,14-26)15-30-32(27,28)29/h3-10,13,26H,2,11-12,14-15,23H2,1H3,(H,24,25)(H2,27,28,29)
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| InChIKey |
KCOJYASVXAFKBM-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