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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 51 52 53 54 55 56 57 58 59 60  Next >> [205]
Species: 4932
Condition: MCK1
Replicates: 2
Raw OD Value: r im 0.5817±0.00282843
Normalized OD Score: sc h 1.0114±0.0100659
Z-Score: 0.5021±0.466508
p-Value: 0.63433
Z-Factor: -10.6608
Fitness Defect: 0.4552
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:24|A4
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.60 Celcius
Date:2007-11-13 YYYY-MM-DD
Plate CH Control (+):0.039575±0.00040
Plate DMSO Control (-):0.5710500000000001±0.10856
Plate Z-Factor:0.3479
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DBLink | Rows returned: 3127[1] << Back 1 2 3 4 5 6 7 8 9 10  Next >> [522]
11636 heptacosane
12388 tridecane
12389 tetradecane
12391 pentadecane
12398 heptadecane
12401 nonadecane

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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