General Information of the Compound
| Compound ID |
CP0373948
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| Compound Name |
3-[4'-(3-Carboxy-acryloylamino)-biphenyl-4-ylcarbamoyl]-acrylic acid
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| Structure |
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| Formula |
C20H16N2O6
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| Molecular Weight |
380.356
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| Canonical SMILES |
OC(=O)\C=C\C(=O)Nc1ccc(cc1)-c1ccc(NC(=O)\C=C\C(O)=O)cc1
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| InChI |
InChI=1S/C20H16N2O6/c23-17(9-11-19(25)26)21-15-5-1-13(2-6-15)14-3-7-16(8-4-14)22-18(24)10-12-20(27)28/h1-12H,(H,21,23)(H,22,24)(H,25,26)(H,27,28)/b11-9+,12-10+
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| InChIKey |
FTLRWRKPUWMOMS-WGDLNXRISA-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: PT04536, Lysophosphatidic acid receptor 2
Protein ID: PT02824, Lysophosphatidic acid receptor 3