General Information of the Compound
| Compound ID |
CP0860899
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| Compound Name |
Phosphoric acid mono-((S)-2-amino-2-hexadecylcarbamoyl-ethyl) ester TFA
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| Structure |
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| Formula |
C21H42F3N2O7P
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| Molecular Weight |
522.542
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| Canonical SMILES |
CCCCCCCCCCCCCCCCNC(=O)[C@@H](N)COP(=O)(O)O.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C19H41N2O5P.C2HF3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-19(22)18(20)17-26-27(23,24)25;3-2(4,5)1(6)7/h18H,2-17,20H2,1H3,(H,21,22)(H2,23,24,25);(H,6,7)/t18-;/m0./s1
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| InChIKey |
XGYCMNDXIOZMGJ-FERBBOLQSA-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: PT01688, Sphingosine 1-phosphate receptor 1
Protein ID: PT01837, Sphingosine 1-phosphate receptor 2
Protein ID: PT01838, Sphingosine 1-phosphate receptor 3
Protein ID: PT01780, Sphingosine 1-phosphate receptor 5