General Information of the Compound
| Compound ID |
CP0485318
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| Compound Name |
(S)-2-amino-3-(4-(2-(biphenyl-4-yl)ethoxy)-3-methylphenylamino)-2-methyl-3-oxopropyl dihydrogen phosphate
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| Structure |
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| Formula |
C25H29N2O6P
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| Molecular Weight |
484.489
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| Canonical SMILES |
Cc1cc(NC(=O)[C@@](C)(N)COP(O)(O)=O)ccc1OCCc1ccc(cc1)-c1ccccc1
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| InChI |
InChI=1S/C25H29N2O6P/c1-18-16-22(27-24(28)25(2,26)17-33-34(29,30)31)12-13-23(18)32-15-14-19-8-10-21(11-9-19)20-6-4-3-5-7-20/h3-13,16H,14-15,17,26H2,1-2H3,(H,27,28)(H2,29,30,31)/t25-/m0/s1
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| InChIKey |
UMJJDEOZEVVCOC-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