General Information of the Compound
| Compound ID |
CP0497150
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| Compound Name |
[(2S)-3-[4-(1H-indol-2-yloxy)phenyl]-2-[[(Z)-octadec-9-enoyl]amino]propyl] dihydrogen phosphate
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| Structure |
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| Formula |
C35H51N2O6P
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| Molecular Weight |
626.775
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| Canonical SMILES |
CCCCCCCC\C=C/CCCCCCCC(=O)N[C@H](COP(O)(O)=O)Cc1ccc(Oc2cc3ccccc3[nH]2)cc1
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| InChI |
InChI=1S/C35H51N2O6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-34(38)36-31(28-42-44(39,40)41)26-29-22-24-32(25-23-29)43-35-27-30-19-17-18-20-33(30)37-35/h9-10,17-20,22-25,27,31,37H,2-8,11-16,21,26,28H2,1H3,(H,36,38)(H2,39,40,41)/b10-9-/t31-/m0/s1
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| InChIKey |
ZVNRWOLYWGGLNB-KKUMVYOXSA-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