General Information of the Compound
| Compound ID |
CP0510033
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| Compound Name |
2-amino-4-(3-chloro-4'-pentylbiphenyl-4-yl)-2-(hydroxymethyl)butyl dihydrogen phosphate
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| Structure |
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| Formula |
C22H31ClNO5P
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| Molecular Weight |
455.919
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| Canonical SMILES |
CCCCCc1ccc(cc1)-c1ccc(CCC(N)(CO)COP(O)(O)=O)c(Cl)c1
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| InChI |
InChI=1S/C22H31ClNO5P/c1-2-3-4-5-17-6-8-18(9-7-17)20-11-10-19(21(23)14-20)12-13-22(24,15-25)16-29-30(26,27)28/h6-11,14,25H,2-5,12-13,15-16,24H2,1H3,(H2,26,27,28)
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| InChIKey |
VYKOHCADRJRQNT-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