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Compound InformationSONAR Target prediction
Name:

Chlortetracycline hydrochloride

Unique Identifier:Prest60
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C22Cl2H24N2O8
Molecular Weight:492.157 g/mol
X log p:3.277  (online calculus)
Lipinksi Failures0
TPSA54.45
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:10
Rotatable Bond Count:2
Canonical Smiles:Cl.CN(C)C1C2CC3C(=C(O)C2(O)C(=O)C(C(N)=O)=C1O)C(=O)c1c(O)ccc(Cl)c1C3(C
)O
Generic_name:7-CHLOROTETRACYCLINE
Chemical_iupac_name:7-CHLOROTETRACYCLINE
Drug_type:Experimental
Drugbank_id:EXPT01049
Drug_category:Tetracycline Repressor inhibitor
Organisms_affected:-1

Found: 2 nonactive | as graph: single | with analogs << Back 1 2
Species: 9606
Condition: TMPPre002
Replicates: 2
Raw OD Value: r im 8570.0000±0
Normalized OD Score: sc h 0.8810±0
Z-Score: -2.6831±0
p-Value: 0.00729446
Z-Factor: -29.8859
Fitness Defect: 4.9206
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Prestwick
Plate Number and Position:2|G6
Drug Concentration:50.00 nM
OD Absorbance:0 nm
Robot Temperature:23.40 Celcius
Date:2006-10-10 YYYY-MM-DD
Plate CH Control (+):979±955.64442
Plate DMSO Control (-):1983.5±536.09994
Plate Z-Factor:-4.7841
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DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 0

active | Cluster 12393 | Additional Members: 20 | Rows returned: 3
Prest1244 0.490196078431373
Prest1045 0.452631578947368
SPE01505684 0.452631578947368

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