General Information of the Compound
| Compound ID |
CP0375771
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| Compound Name |
(S)-2-amino-4-(4-(heptyloxy)phenyl)-2-methylbutanoic acid
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| Structure |
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| Formula |
C18H29NO3
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| Molecular Weight |
307.434
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| Canonical SMILES |
CCCCCCCOc1ccc(CC[C@](C)(N)C(O)=O)cc1
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| InChI |
InChI=1S/C18H29NO3/c1-3-4-5-6-7-14-22-16-10-8-15(9-11-16)12-13-18(2,19)17(20)21/h8-11H,3-7,12-14,19H2,1-2H3,(H,20,21)/t18-/m0/s1
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| InChIKey |
HBEUHDJEXSWDPB-SFHVURJKSA-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: PT01779, Sphingosine 1-phosphate receptor 4
Protein ID: PT01780, Sphingosine 1-phosphate receptor 5