General Information of the Compound
| Compound ID |
CP0480163
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| Compound Name |
(S)-2-amino-3-(4-(2-(biphenyl-4-yl)ethoxy)-3-cyanophenylamino)-2-methyl-3-oxopropyl dihydrogen phosphate
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| Structure |
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| Formula |
C25H26N3O6P
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| Molecular Weight |
495.472
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| Canonical SMILES |
C[C@](N)(COP(O)(O)=O)C(=O)Nc1ccc(OCCc2ccc(cc2)-c2ccccc2)c(c1)C#N
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| InChI |
InChI=1S/C25H26N3O6P/c1-25(27,17-34-35(30,31)32)24(29)28-22-11-12-23(21(15-22)16-26)33-14-13-18-7-9-20(10-8-18)19-5-3-2-4-6-19/h2-12,15H,13-14,17,27H2,1H3,(H,28,29)(H2,30,31,32)/t25-/m0/s1
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| InChIKey |
YIQNROYJCYQWIM-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