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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 11 12 13 14 15 16 17 18 19 20  Next >> [205]
Species: 4932
Condition: CHS5
Replicates: 2
Raw OD Value: r im 0.7500±0.00339411
Normalized OD Score: sc h 0.9987±0.00306215
Z-Score: -0.0617±0.146842
p-Value: 0.917458
Z-Factor: -26.6469
Fitness Defect: 0.0861
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:24|A4
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.90 Celcius
Date:2006-03-28 YYYY-MM-DD
Plate CH Control (+):0.03985±0.00170
Plate DMSO Control (-):0.734275±0.01140
Plate Z-Factor:0.9363
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DBLink | Rows returned: 31271 2 3 4 5 6 7 8 9 10  Next >> [522]
356 octane
1108 2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthrene
7044 decalin
7094 cyclohexylcyclohexane
7459 1-methyl-4-propan-2-yl-cyclohexane
7962 methylcyclohexane

internal high similarity DBLink | Rows returned: 0

nonactive | Cluster 2228 | Additional Members: 18 | Rows returned: 121 2 Next >> 
SPE00270051 0.451219512195122
SPE00270049 0.371428571428571
SPE00100566 0.337837837837838
SPE01500835 0.309859154929578
SPE01500605 0.3
SPE01500837 0.3

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