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Compound InformationSONAR Target prediction
Name:

ATRAZINE

Unique Identifier:SPE00330029
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:201.572 g/mol
X log p:-0.849  (online calculus)
Lipinksi Failures0
TPSA37.08
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:5
Rotatable Bond Count:4
Canonical Smiles:CCNc1nc(Cl)nc(NC(C)C)n1
Source:synthetic
Therapeutics:herbicide

Found: 205 nonactive as graph: single | with analogs [1] << Back 201 202 203 204 205 Next >> [205]
Species: 4932
Condition: SLT2
Replicates: 2
Raw OD Value: r im 0.8795±0.00954594
Normalized OD Score: sc h 1.0117±0.00400404
Z-Score: 1.5743±0.194814
p-Value: 0.118867
Z-Factor: -2.48444
Fitness Defect: 2.1298
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum_ED
Plate Number and Position:25|E11
Drug Concentration:50.00 nM
OD Absorbance:595 nm
Robot Temperature:30.00 Celcius
Date:2010-08-10 YYYY-MM-DD
Plate CH Control (+):0.09300000000000001±0.00459
Plate DMSO Control (-):0.9699999999999999±0.02178
Plate Z-Factor:0.9335
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DBLink | Rows returned: 92 Next >> 
2256 6-chloro-N--ethyl-N-propan-2-yl-1,3,5-triazine-2,4-diamine
4937 6-chloro-N,N--dipropan-2-yl-1,3,5-triazine-2,4-diamine
18153 6-chloro-N--methyl-N-propan-2-yl-1,3,5-triazine-2,4-diamine
22206 6-chloro-N--ethyl-N-tert-butyl-1,3,5-triazine-2,4-diamine
36755 6-chloro-N--methyl-N-tert-butyl-1,3,5-triazine-2,4-diamine
134683 6-chloro-N--ethyl-N-propan-2-yl-1,3,5-triazine-2,4-diamine hydrochloride

internal high similarity DBLink | Rows returned: 2
SPE00330028 0.9750
SPE00330026 1.0000

active | Cluster 332 | Additional Members: 6 | Rows returned: 0

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