General Information of the Compound
| Compound ID |
CP0874378
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| Compound Name |
Phosphoric acid mono-[(R)-2-amino-2-(4-dodecyl-phenylcarbamoyl)-ethyl] ester TFA
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| Structure |
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| Formula |
C23H38F3N2O7P
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| Molecular Weight |
542.532
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| Canonical SMILES |
CCCCCCCCCCCCc1ccc(NC(=O)[C@H](N)COP(=O)(O)O)cc1.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C21H37N2O5P.C2HF3O2/c1-2-3-4-5-6-7-8-9-10-11-12-18-13-15-19(16-14-18)23-21(24)20(22)17-28-29(25,26)27;3-2(4,5)1(6)7/h13-16,20H,2-12,17,22H2,1H3,(H,23,24)(H2,25,26,27);(H,6,7)/t20-;/m1./s1
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| InChIKey |
JNWFGPWQDUYZIC-VEIFNGETSA-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: PT01838, Sphingosine 1-phosphate receptor 3
Protein ID: PT01779, Sphingosine 1-phosphate receptor 4
Protein ID: PT01780, Sphingosine 1-phosphate receptor 5