General Information of the Compound
| Compound ID |
CP0376716
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| Compound Name |
[(2R)-2-[[(Z)-octadec-9-enoyl]amino]-3-[4-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]propyl] dihydrogen phosphate
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| Structure |
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| Formula |
C33H56NO11P
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| Molecular Weight |
673.781
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| Canonical SMILES |
CCCCCCCC\C=C/CCCCCCCC(=O)N[C@@H](COP(O)(O)=O)Cc1ccc(OC2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1
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| InChI |
InChI=1S/C33H56NO11P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-29(36)34-26(24-43-46(40,41)42)22-25-18-20-27(21-19-25)44-33-32(39)31(38)30(37)28(23-35)45-33/h9-10,18-21,26,28,30-33,35,37-39H,2-8,11-17,22-24H2,1H3,(H,34,36)(H2,40,41,42)/b10-9-/t26-,28-,30-,31+,32-,33?/m1/s1
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| InChIKey |
VBGTWNQDLZANTG-FENAZTFHSA-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