General Information of the Compound
| Compound ID |
CP0457782
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| Compound Name |
[(2S)-3-[4-(3-methylbutoxy)phenyl]-2-[[(Z)-octadec-9-enoyl]amino]propyl] dihydrogen phosphate
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| Structure |
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| Formula |
C32H56NO6P
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| Molecular Weight |
581.775
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| Canonical SMILES |
CCCCCCCC\C=C/CCCCCCCC(=O)N[C@H](COP(O)(O)=O)Cc1ccc(OCCC(C)C)cc1
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| InChI |
InChI=1S/C32H56NO6P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-32(34)33-30(27-39-40(35,36)37)26-29-20-22-31(23-21-29)38-25-24-28(2)3/h11-12,20-23,28,30H,4-10,13-19,24-27H2,1-3H3,(H,33,34)(H2,35,36,37)/b12-11-/t30-/m0/s1
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| InChIKey |
IZCBSRVXYMBWHV-NRESKRBGSA-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