General Information of the Compound
| Compound ID |
CP0450471
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| Compound Name |
(4S)-4-amino-5-(4-octoxyanilino)-5-oxopentanoic acid
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| Structure |
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| Formula |
C19H30N2O4
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| Molecular Weight |
350.459
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| Canonical SMILES |
CCCCCCCCOc1ccc(NC(=O)[C@@H](N)CCC(O)=O)cc1
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| InChI |
InChI=1S/C19H30N2O4/c1-2-3-4-5-6-7-14-25-16-10-8-15(9-11-16)21-19(24)17(20)12-13-18(22)23/h8-11,17H,2-7,12-14,20H2,1H3,(H,21,24)(H,22,23)/t17-/m0/s1
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| InChIKey |
OKOMOCJXZQHNDF-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: PT01688, Sphingosine 1-phosphate receptor 1
Protein ID: PT01838, Sphingosine 1-phosphate receptor 3