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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 161 162 163 164 165 166 167 168 169 170  Next >> [205]
Species: 4932
Condition: RPA49
Replicates: 2
Raw OD Value: r im 0.6427±0.0401637
Normalized OD Score: sc h 0.9916±0.00451242
Z-Score: -0.2957±0.14846
p-Value: 0.76869
Z-Factor: -12.9265
Fitness Defect: 0.2631
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:24|B6
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.30 Celcius
Date:2007-12-13 YYYY-MM-DD
Plate CH Control (+):0.041374999999999995±0.00077
Plate DMSO Control (-):0.6188750000000001±0.02165
Plate Z-Factor:0.8374
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DBLink | Rows returned: 3127[1] << Back 1 2 3 4 5 6 7 8 9 10  Next >> [522]
12410 hentriacontane
12411 tritriacontane
12412 hexatriacontane
12413 pentatriacontane
12523 2,6,10,14-tetramethylhexadecane
12534 tricosane

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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