General Information of the Compound
| Compound ID |
CP0495425
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| Compound Name |
PROTOCATECHUAMIDE
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| Structure |
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| Formula |
C7H7NO3
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| Molecular Weight |
153.137
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| Canonical SMILES |
NC(=O)c1ccc(O)c(O)c1
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| InChI |
InChI=1S/C7H7NO3/c8-7(11)4-1-2-5(9)6(10)3-4/h1-3,9-10H,(H2,8,11)
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| InChIKey |
GNWREYFHYLIYJE-UHFFFAOYSA-N
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| CAS |
54337-90-5
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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