General Information of the Compound
| Compound ID |
CP0390605
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| Compound Name |
2-Hexadecanoylamino-3-phosphonooxy-propionic acid
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| Structure |
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| Formula |
C19H38NO7P
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| Molecular Weight |
423.487
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| Canonical SMILES |
CCCCCCCCCCCCCCCC(=O)N[C@@H](COP(O)(O)=O)C(O)=O
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| InChI |
InChI=1S/C19H38NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)20-17(19(22)23)16-27-28(24,25)26/h17H,2-16H2,1H3,(H,20,21)(H,22,23)(H2,24,25,26)/t17-/m0/s1
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| InChIKey |
HSMUPNYJCMYKJH-KRWDZBQOSA-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