General Information of the Compound
| Compound ID |
CP0851078
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| Compound Name |
2-amino-4-(4-(4-benzylphenoxy)phenyl)-2-(hydroxymethyl)butyl dihydrogen phosphate
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| Structure |
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| Formula |
C24H28NO6P
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| Molecular Weight |
457.463
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| Canonical SMILES |
NC(CO)(CCc1ccc(Oc2ccc(Cc3ccccc3)cc2)cc1)COP(=O)(O)O
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| InChI |
InChI=1S/C24H28NO6P/c25-24(17-26,18-30-32(27,28)29)15-14-19-6-10-22(11-7-19)31-23-12-8-21(9-13-23)16-20-4-2-1-3-5-20/h1-13,26H,14-18,25H2,(H2,27,28,29)
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| InChIKey |
NUIIWGYVZPUOGM-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