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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 71 72 73 74 75 76 77 78 79 80  Next >> [205]
Species: 4932
Condition: RIC1
Replicates: 2
Raw OD Value: r im 0.6213±0.00657609
Normalized OD Score: sc h 0.9727±0.00789574
Z-Score: -0.6109±0.263054
p-Value: 0.548204
Z-Factor: -4.44219
Fitness Defect: 0.6011
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:24|A4
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.80 Celcius
Date:2006-03-18 YYYY-MM-DD
Plate CH Control (+):0.038075±0.00184
Plate DMSO Control (-):0.6038±0.01639
Plate Z-Factor:0.8925
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DBLink | Rows returned: 3127[1] << Back 401 402 403 404 405 406 407 408 409 410  Next >> [522]
6097127 aluminum(+3) cation; ethane; octane
6098362 decane; magnesium(+2) cation; bromide
6098992 magnesium(+2) cation; pentadecane; bromide
6099940 dodecane; magnesium(+2) cation; bromide
6100703 aluminum(+2) monohydride cation; octane
6101627 magnesium(+2) cation; octane; bromide

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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