General Information of the Compound
| Compound ID |
CP0384119
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| Compound Name |
4-Pentyl-benzoic acid 4-[(S)-2-((Z)-octadec-9-enoylamino)-3-phosphonooxy-propyl]-phenyl ester
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| Structure |
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| Formula |
C39H60NO7P
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| Molecular Weight |
685.883
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| Canonical SMILES |
CCCCCCCC\C=C/CCCCCCCC(=O)N[C@H](COP(O)(O)=O)Cc1ccc(OC(=O)c2ccc(CCCCC)cc2)cc1
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| InChI |
InChI=1S/C39H60NO7P/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-20-22-38(41)40-36(32-46-48(43,44)45)31-34-25-29-37(30-26-34)47-39(42)35-27-23-33(24-28-35)21-19-6-4-2/h12-13,23-30,36H,3-11,14-22,31-32H2,1-2H3,(H,40,41)(H2,43,44,45)/b13-12-/t36-/m0/s1
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| InChIKey |
FWOUHSOVALWFJO-QPZFHVBGSA-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