General Information of the Compound
| Compound ID |
CP0399809
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| Compound Name |
2-Hexadecanoylamino-3-(4-phosphonooxy-phenyl)-propionic acid
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| Structure |
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| Formula |
C25H42NO7P
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| Molecular Weight |
499.585
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| Canonical SMILES |
CCCCCCCCCCCCCCCC(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(O)=O
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| InChI |
InChI=1S/C25H42NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-24(27)26-23(25(28)29)20-21-16-18-22(19-17-21)33-34(30,31)32/h16-19,23H,2-15,20H2,1H3,(H,26,27)(H,28,29)(H2,30,31,32)/t23-/m0/s1
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| InChIKey |
XUJHGZCBICJAJS-QHCPKHFHSA-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: PT04536, Lysophosphatidic acid receptor 2
Protein ID: PT02824, Lysophosphatidic acid receptor 3