General Information of the Compound
| Compound ID |
CP0401580
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| Compound Name |
2,6-bis(3-carboxyacrylamido)benzoic acid
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| Structure |
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| Formula |
C15H12N2O8
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| Molecular Weight |
348.267
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| Canonical SMILES |
OC(=O)\C=C\C(=O)Nc1cccc(NC(=O)\C=C\C(O)=O)c1C(O)=O
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| InChI |
InChI=1S/C15H12N2O8/c18-10(4-6-12(20)21)16-8-2-1-3-9(14(8)15(24)25)17-11(19)5-7-13(22)23/h1-7H,(H,16,18)(H,17,19)(H,20,21)(H,22,23)(H,24,25)/b6-4+,7-5+
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| InChIKey |
AEFXZQBYWHGBOY-YDFGWWAZSA-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