General Information of the Compound
| Compound ID |
CP0466760
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| Compound Name |
3-[4-[2-(3-nitrophenyl)ethynyl]phenyl]propanoic acid
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| Structure |
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| Formula |
C17H13NO4
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| Molecular Weight |
295.294
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| Canonical SMILES |
OC(=O)CCc1ccc(cc1)C#Cc1cccc(c1)[N+]([O-])=O
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| InChI |
InChI=1S/C17H13NO4/c19-17(20)11-10-14-6-4-13(5-7-14)8-9-15-2-1-3-16(12-15)18(21)22/h1-7,12H,10-11H2,(H,19,20)
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| InChIKey |
WZZRPEXBKOTHTN-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