General Information of the Compound
| Compound ID |
CP0404387
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| Compound Name |
[2-(octanoylamino)-3-(4-phenylmethoxyphenyl)propyl] dihydrogen phosphate
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| Structure |
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| Formula |
C24H34NO6P
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| Molecular Weight |
463.511
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| Canonical SMILES |
CCCCCCCC(=O)NC(COP(O)(O)=O)Cc1ccc(OCc2ccccc2)cc1
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| InChI |
InChI=1S/C24H34NO6P/c1-2-3-4-5-9-12-24(26)25-22(19-31-32(27,28)29)17-20-13-15-23(16-14-20)30-18-21-10-7-6-8-11-21/h6-8,10-11,13-16,22H,2-5,9,12,17-19H2,1H3,(H,25,26)(H2,27,28,29)
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| InChIKey |
KVCPOUHIDCPFLV-UHFFFAOYSA-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