General Information of the Compound
| Compound ID |
CP0493961
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| Compound Name |
(S)-5-(2-amino-2-methyl-3-(phosphonooxy)propanamido)-2-(2-(biphenyl-4-yl)ethoxy)benzoic acid
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| Structure |
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| Formula |
C25H27N2O8P
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| Molecular Weight |
514.471
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| Canonical SMILES |
C[C@](N)(COP(O)(O)=O)C(=O)Nc1ccc(OCCc2ccc(cc2)-c2ccccc2)c(c1)C(O)=O
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| InChI |
InChI=1S/C25H27N2O8P/c1-25(26,16-35-36(31,32)33)24(30)27-20-11-12-22(21(15-20)23(28)29)34-14-13-17-7-9-19(10-8-17)18-5-3-2-4-6-18/h2-12,15H,13-14,16,26H2,1H3,(H,27,30)(H,28,29)(H2,31,32,33)/t25-/m0/s1
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| InChIKey |
JMQISUVMGYJTBB-VWLOTQADSA-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