General Information of the Compound
| Compound ID |
CP0851014
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| Compound Name |
2-amino-2-(hydroxymethyl)-4-(4-(4-(2-methyloxazol-4-yl)phenoxy)phenyl)butyl dihydrogen phosphate
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| Structure |
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| Formula |
C21H25N2O7P
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| Molecular Weight |
448.412
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| Canonical SMILES |
Cc1nc(-c2ccc(Oc3ccc(CCC(N)(CO)COP(=O)(O)O)cc3)cc2)co1
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| InChI |
InChI=1S/C21H25N2O7P/c1-15-23-20(12-28-15)17-4-8-19(9-5-17)30-18-6-2-16(3-7-18)10-11-21(22,13-24)14-29-31(25,26)27/h2-9,12,24H,10-11,13-14,22H2,1H3,(H2,25,26,27)
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| InChIKey |
AOHVUVDBUKONAU-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