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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 201 202 203 204 205 Next >> [205]
Species: 4932
Condition: MKK1
Replicates: 2
Raw OD Value: r im 0.8150±0.0212132
Normalized OD Score: sc h 0.9916±0.00625749
Z-Score: -0.2448±0.192065
p-Value: 0.808388
Z-Factor: -209.513
Fitness Defect: 0.2127
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum_ED
Plate Number and Position:25|A8
Drug Concentration:50.00 nM
OD Absorbance:595 nm
Robot Temperature:30.00 Celcius
Date:2010-08-10 YYYY-MM-DD
Plate CH Control (+):0.101±0.00785
Plate DMSO Control (-):0.9775±0.03540
Plate Z-Factor:0.8882
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DBLink | Rows returned: 3127[1] << Back 511 512 513 514 515 516 517 518 519 520  Next >> [522]
15977171 carbanide; 1,2,3,4,5-pentamethylcyclopentane; thorium(+2) cation
15977458 lithium hexadecane
15977590 lithium heptane
15981574 lithium (2R)-2-methanidyloctane
15984800 n/a
16055087 lithium; copper(+1) cation; 3-methyldecane

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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