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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 1 2 3 4 5 6 7 8 9 10  Next >> [205]
Species: 4932
Condition: BEM2
Replicates: 2
Raw OD Value: r im 0.6518±0.0152735
Normalized OD Score: sc h 1.0189±0.00393014
Z-Score: -0.0880±0.208716
p-Value: 0.883122
Z-Factor: -10.5039
Fitness Defect: 0.1243
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:24|A4
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:27.20 Celcius
Date:2006-03-25 YYYY-MM-DD
Plate CH Control (+):0.04235±0.00174
Plate DMSO Control (-):0.6381749999999999±0.01611
Plate Z-Factor:0.9054
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DBLink | Rows returned: 3127[1] << Back 31 32 33 34 35 36 37 38 39 40  Next >> [522]
27518 5-methylnonane
27533 (1R,3R)-1,2,3-trimethylcyclopentane
27870 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,
21,21,22,22,23,23,24,24,24-pentacontadeuteriotetracosane
27938 1-methyl-3-propan-2-yl-cyclohexane
28030 1-ethyl-1-methyl-cyclopentane
28452 2,5-dimethylundecane

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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