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Compound InformationSONAR Target prediction
Name:

Doxycycline Hydrochloride

Unique Identifier:LAT001F08
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C22ClH25N2O8
Molecular Weight:455.697 g/mol
X log p:5.303  (online calculus)
Lipinksi Failures1
TPSA54.45
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:10
Rotatable Bond Count:2
Canonical Smiles:Cl.CC1C2C(O)C3C(N(C)C)C(O)=C(C(N)=O)C(=O)C3(O)C(O)=C2C(=O)c2c(O)cccc12

Found: 5 nonactive as graph: single | with analogs << Back 1 2 3 4 5 Next >> 
Species: 4932
Condition: pdr24h
Replicates: 2
Raw OD Value: r im 0.7275±0.00339411
Normalized OD Score: sc h 1.0037±0.00683713
Z-Score: 0.2557±0.307037
p-Value: 0.80282
Z-Factor: -8.17127
Fitness Defect: 0.2196
Bioactivity Statement: Nonactive
Experimental Conditions
Library:LATCA
Plate Number and Position:1|F8
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:27.10 Celcius
Date:2007-03-08 YYYY-MM-DD
Plate CH Control (+):0.040225±0.00178
Plate DMSO Control (-):0.6901999999999999±0.23283
Plate Z-Factor:-0.0802
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DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 3
LOPAC 00868 1.0000
Prest1072 1.0000
SPE01500266 1.0000

active | Cluster 2358 | Additional Members: 14 | Rows returned: 5
Prest588 0.465909090909091
SPE01501118 0.465909090909091
Prest1251 0.406976744186046
Prest1072 0
SPE01500266 0

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