General Information of the Compound
| Compound ID |
CP0869940
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| Compound Name |
2-amino-4-(4-(4-butylphenoxy)phenyl)-2-(hydroxymethyl)butyl dihydrogen phosphate
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| Structure |
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| Formula |
C21H30NO6P
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| Molecular Weight |
423.446
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| Canonical SMILES |
CCCCc1ccc(Oc2ccc(CCC(N)(CO)COP(=O)(O)O)cc2)cc1
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| InChI |
InChI=1S/C21H30NO6P/c1-2-3-4-17-5-9-19(10-6-17)28-20-11-7-18(8-12-20)13-14-21(22,15-23)16-27-29(24,25)26/h5-12,23H,2-4,13-16,22H2,1H3,(H2,24,25,26)
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| InChIKey |
VPWNJMJBKQLUDJ-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