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Compound InformationSONAR Target prediction
Name:

N^G,N^G-Dimethylarginine hydrochloride

Unique Identifier:LOPAC 00422
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C8ClH19N4O2
Molecular Weight:219.564 g/mol
X log p:-1.221  (online calculus)
Lipinksi Failures0
TPSA20.31
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:6
Rotatable Bond Count:7
Canonical Smiles:Cl.CN(C)C(=N)NCCCC(N)C(O)=O
Class:Nitric Oxide
Action:Inhibitor
Selectivity:NOS
Generic_name:ADMA
Chemical_iupac_name:NG,NG-DIMETHYL-L-ARGININE
Drug_type:Experimental
Kegg_compound_id:C03626
Drugbank_id:EXPT01101
Logp:-3.164
Cas_registry_number:102783-24-4
Drug_category:Nitric Oxide Synthase inhibitor
Organisms_affected:-1

Found: 24 nonactive as graph: single | with analogs [1] << Back 11 12 13 14 15 16 17 18 19 20  Next >> [24]
Species: 4932
Condition: MRC1
Replicates: 2
Raw OD Value: r im 0.8624±0.0172534
Normalized OD Score: sc h 1.0073±0.00761762
Z-Score: 0.5058±0.506116
p-Value: 0.635082
Z-Factor: -50.763
Fitness Defect: 0.454
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Lopac
Plate Number and Position:5|G9
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.90 Celcius
Date:2005-12-06 YYYY-MM-DD
Plate CH Control (+):0.3314±0.21684
Plate DMSO Control (-):0.813625±0.01988
Plate Z-Factor:0.4359
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DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 4
LOPAC 00409 0.9231
RH 01444 0.9231
LOPAC 00447 1.0000
SPE01502194 1.0000

nonactive | Cluster 4071 | Additional Members: 12 | Rows returned: 91 2 Next >> 
LOPAC 00681 0.5
LOPAC 01348 0.384615384615385
LOPAC 00411 0.333333333333333
SPE01502194 0.333333333333333
LOPAC 00447 0.333333333333333
SPE01500855 0.314285714285714

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