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Compound InformationSONAR Target prediction
Name:

GALLIC ACID

Unique Identifier:SPE00210369
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:164.072 g/mol
X log p:4.357  (online calculus)
Lipinksi Failures0
TPSA17.07
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:5
Rotatable Bond Count:1
Canonical Smiles:OC(=O)c1cc(O)c(O)c(O)c1
Class:aromatic
Source:insect galls
Reference:J Chem Soc 1961:1854; Agric Biol Chem 30:617 (1966); Phytochemistry 10:894 (1971);
11:1911 (1972); Cancer Res 39:844 (1979); J Med Chem 22:589 (1979)
Therapeutics:antineoplastic, astringent, antibacterial

Found: 609 nonactive | as graph: single | with analogs [1] << Back 591 592 593 594 595 596 597 598 599 600  Next >> [609]
Species: 4932
Condition: SWE1
Replicates: 2
Raw OD Value: r im 0.7346±0.00219203
Normalized OD Score: sc h 1.0427±0.0299012
Z-Score: 1.9689±0.735191
p-Value: 0.080075
Z-Factor: -1.68213
Fitness Defect: 2.5248
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:7|C11
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:23.80 Celcius
Date:2008-05-13 YYYY-MM-DD
Plate CH Control (+):0.04085±0.00065
Plate DMSO Control (-):0.696825±0.02372
Plate Z-Factor:0.8660
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DBLink | Rows returned: 102 Next >> 
370 3,4,5-trihydroxybenzoic acid
67314 bismuth(+3) cation; 3,4,5-trihydroxybenzoate; hydroxide; iodide
86954 lithium 3,4,5-trihydroxybenzoate
92702 bismuth(+3) cation; 3,4,5-trihydroxybenzoate
159638 sodium 3,4,5-trihydroxybenzoate
4598586 3,4,5-trihydroxybenzoate

internal high similarity DBLink | Rows returned: 0

active | Cluster 8976 | Additional Members: 4 | Rows returned: 0

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