General Information of the Compound
| Compound ID |
CP0526832
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| Compound Name |
(S)-2-amino-3-(4-(2-(biphenyl-4-yl)ethoxy)-3-carbamoylphenylamino)-2-methyl-3-oxopropyl dihydrogen phosphate
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| Structure |
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| Formula |
C25H28N3O7P
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| Molecular Weight |
513.487
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| Canonical SMILES |
C[C@](N)(COP(O)(O)=O)C(=O)Nc1ccc(OCCc2ccc(cc2)-c2ccccc2)c(c1)C(N)=O
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| InChI |
InChI=1S/C25H28N3O7P/c1-25(27,16-35-36(31,32)33)24(30)28-20-11-12-22(21(15-20)23(26)29)34-14-13-17-7-9-19(10-8-17)18-5-3-2-4-6-18/h2-12,15H,13-14,16,27H2,1H3,(H2,26,29)(H,28,30)(H2,31,32,33)/t25-/m0/s1
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| InChIKey |
QNJUIJYMNKFBHK-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