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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 2 3 4 5 6 7 8 9 10  Next >> [205]
Species: 4932
Condition: APC9
Replicates: 2
Raw OD Value: r im 0.6691±0.00367696
Normalized OD Score: sc h 0.9769±0.00394251
Z-Score: -1.2553±0.195254
p-Value: 0.2137
Z-Factor: -38.7075
Fitness Defect: 1.5432
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:24|A4
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:23.70 Celcius
Date:2007-11-22 YYYY-MM-DD
Plate CH Control (+):0.042124999999999996±0.00077
Plate DMSO Control (-):0.6782250000000001±0.12100
Plate Z-Factor:0.4058
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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

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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