General Information of the Compound
| Compound ID |
CP0433658
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| Compound Name |
2-Amino-4-(3-chloro-4'-phenoxybiphenyl-4-yl)-2-(phosphoryloxymethyl)butanol
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| Structure |
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| Formula |
C23H25ClNO6P
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| Molecular Weight |
477.881
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| Canonical SMILES |
NC(CO)(CCc1ccc(cc1Cl)-c1ccc(Oc2ccccc2)cc1)COP(O)(O)=O
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| InChI |
InChI=1S/C23H25ClNO6P/c24-22-14-19(17-8-10-21(11-9-17)31-20-4-2-1-3-5-20)7-6-18(22)12-13-23(25,15-26)16-30-32(27,28)29/h1-11,14,26H,12-13,15-16,25H2,(H2,27,28,29)
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| InChIKey |
DZBUZOQYHZEZEQ-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