General Information of the Compound
| Compound ID |
CP0373946
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| Compound Name |
3-[3-(3-Carboxy-acryloylamino)-phenylcarbamoyl]-acrylic acid
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| Structure |
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| Formula |
C14H12N2O6
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| Molecular Weight |
304.258
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| Canonical SMILES |
OC(=O)\C=C\C(=O)Nc1cccc(NC(=O)\C=C\C(O)=O)c1
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| InChI |
InChI=1S/C14H12N2O6/c17-11(4-6-13(19)20)15-9-2-1-3-10(8-9)16-12(18)5-7-14(21)22/h1-8H,(H,15,17)(H,16,18)(H,19,20)(H,21,22)/b6-4+,7-5+
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| InChIKey |
SKDIMRRKRVTENP-YDFGWWAZSA-N
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| CAS |
13161-99-4
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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