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Compound InformationSONAR Target prediction
Name:

CHOLESTANE

Unique Identifier:SPE00300015
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:325.297 g/mol
X log p:2.314  (online calculus)
Lipinksi Failures0
TPSA0
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:0
Rotatable Bond Count:5
Canonical Smiles:CC(C)CCCC(C)C1CCC2C3CCC4CCCCC4(C)C3CCC12C
Source:semisynthetic
Generic_name:ADAMANTANE
Chemical_iupac_name:ADAMANTANE
Drug_type:Experimental
Drugbank_id:EXPT00433
Logp:2.69
Drug_category:Cytochrome P450Cam inhibitor
Organisms_affected:-1

Found: 205 nonactive as graph: single | with analogs [1] << Back 181 182 183 184 185 186 187 188 189 190  Next >> [205]
Species: 4932
Condition: TRK1
Replicates: 2
Raw OD Value: r im 0.5125±0.0101116
Normalized OD Score: sc h 1.0104±0.017652
Z-Score: 0.3172±0.549698
p-Value: 0.711632
Z-Factor: -8.72002
Fitness Defect: 0.3402
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:24|B6
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.80 Celcius
Date:2008-03-14 YYYY-MM-DD
Plate CH Control (+):0.0399±0.00066
Plate DMSO Control (-):0.4864±0.01839
Plate Z-Factor:0.8605
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DBLink | Rows returned: 3127[1] << Back 391 392 393 394 395 396 397 398 399 400  Next >> [522]
6093217 aluminum(+3) cation; tetradecane
6093218 aluminum(+3) cation; dodecane
6093220 aluminum(+3) cation; decane
6093711 magnesium(+2) cation; octane; chloride
6093778 magnesium(+2) cation; octadecane; chloride
6095960 magnesium(+2) cation; tetradecane; chloride

internal high similarity DBLink | Rows returned: 0

active | Cluster 2228 | Additional Members: 18 | Rows returned: 71 2 Next >> 
SPE00270051 0.451219512195122
SPE01500835 0.309859154929578
SPE01500605 0.3
SPE01500837 0.3
Prest256 0.3
SPE01500906 0

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