General Information of the Compound
| Compound ID |
CP0386731
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| Compound Name |
4-(4-(ethoxycarbonyl)styryl)benzenesulfonic acid
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| Structure |
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| Formula |
C17H16O5S
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| Molecular Weight |
332.377
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| Canonical SMILES |
CCOC(=O)c1ccc(\C=C\c2ccc(cc2)S(O)(=O)=O)cc1
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| InChI |
InChI=1S/C17H16O5S/c1-2-22-17(18)15-9-5-13(6-10-15)3-4-14-7-11-16(12-8-14)23(19,20)21/h3-12H,2H2,1H3,(H,19,20,21)/b4-3+
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| InChIKey |
NRRCVYNRSGAPOK-ONEGZZNKSA-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: PT04536, Lysophosphatidic acid receptor 2
Protein ID: PT02824, Lysophosphatidic acid receptor 3