General Information of the Compound
| Compound ID |
CP0439406
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| Compound Name |
3-[4-[2-(3-aminophenyl)ethynyl]phenyl]propanoic acid
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| Structure |
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| Formula |
C17H15NO2
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| Molecular Weight |
265.312
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| Canonical SMILES |
Nc1cccc(c1)C#Cc1ccc(CCC(O)=O)cc1
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| InChI |
InChI=1S/C17H15NO2/c18-16-3-1-2-15(12-16)9-8-13-4-6-14(7-5-13)10-11-17(19)20/h1-7,12H,10-11,18H2,(H,19,20)
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| InChIKey |
RINWVDIGOJGYFE-UHFFFAOYSA-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