General Information of the Compound
| Compound ID |
CP0378065
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| Compound Name |
[(2R)-3-(4-ethoxyphenyl)-2-[[(Z)-octadec-9-enoyl]amino]propyl] dihydrogen phosphate
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| Structure |
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| Formula |
C29H50NO6P
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| Molecular Weight |
539.694
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| Canonical SMILES |
CCCCCCCC\C=C/CCCCCCCC(=O)N[C@@H](COP(O)(O)=O)Cc1ccc(OCC)cc1
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| InChI |
InChI=1S/C29H50NO6P/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-29(31)30-27(25-36-37(32,33)34)24-26-20-22-28(23-21-26)35-4-2/h11-12,20-23,27H,3-10,13-19,24-25H2,1-2H3,(H,30,31)(H2,32,33,34)/b12-11-/t27-/m1/s1
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| InChIKey |
YJUAHFAPMCNGAE-FRSJXWKWSA-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: PT03925, Lysophosphatidic acid receptor 1
Protein ID: PT02824, Lysophosphatidic acid receptor 3