General Information of the Compound
| Compound ID |
CP0435303
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| Compound Name |
N-[(2S)-3-dihydroxyphosphinothioyloxy-1-(octylamino)-1-oxopropan-2-yl]octanamide
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| Structure |
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| Formula |
C19H39N2O5PS
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| Molecular Weight |
438.571
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| Canonical SMILES |
CCCCCCCCNC(=O)[C@H](COP(O)(O)=S)NC(=O)CCCCCCC
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| InChI |
InChI=1S/C19H39N2O5PS/c1-3-5-7-9-11-13-15-20-19(23)17(16-26-27(24,25)28)21-18(22)14-12-10-8-6-4-2/h17H,3-16H2,1-2H3,(H,20,23)(H,21,22)(H2,24,25,28)/t17-/m0/s1
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| InChIKey |
VNBIUEOBRLCNQI-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