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Compound InformationSONAR Target prediction
Name:

CHOLESTEROL

Unique Identifier:SPE01500847
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:340.288 g/mol
X log p:3.038  (online calculus)
Lipinksi Failures0
TPSA0
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:1
Rotatable Bond Count:5
Canonical Smiles:CC(C)CCCC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C
Class:sterol
Source:common animal sterol
Generic_name:CHOLESTEROL
Chemical_iupac_name:CHOLESTEROL
Drug_type:Experimental
Kegg_compound_id:C00187
Drugbank_id:EXPT00945
Logp:7.445
Cas_registry_number:57-88-5
Drug_category:Nuclear Receptor Ror-Alpha inhibitor
Organisms_affected:-1

Found: 205 nonactive as graph: single | with analogs [1] << Back 101 102 103 104 105 106 107 108 109 110  Next >> [205]
Species: 4932
Condition: UBP8
Replicates: 2
Raw OD Value: r im 0.6408±0.0000707107
Normalized OD Score: sc h 1.0159±0.0199625
Z-Score: 0.6558±0.822347
p-Value: 0.578368
Z-Factor: -6.42475
Fitness Defect: 0.5475
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:8|F9
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.00 Celcius
Date:2007-10-17 YYYY-MM-DD
Plate CH Control (+):0.0397±0.00037
Plate DMSO Control (-):0.6102000000000001±0.04394
Plate Z-Factor:0.7526
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DBLink | Rows returned: 355[1] << Back 11 12 13 14 15 16 17 18 19 20  Next >> [60]
556564 4a-methyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-ol
556731 1,2,3,3a,4,6a-hexahydropentalen-1-ol
562328 n/a
572104 17-(5-hydroxy-5-methyl-hexan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopent
a[a]phenanthren-3-ol
573923 2-(1-cyclopent-2-enyl)norbornan-2-ol
579641 2-(2-ethyl-1,3-dimethyl-1-cyclopent-2-enyl)propan-2-ol

internal high similarity DBLink | Rows returned: 82 Next >> 
SB 01792 0.9189
SPE00201697 0.9189
SPE00240449 0.9189
SPE00240470 0.9189
SPE01500843 0.9189
SPE00307057 0.9231

active | Cluster 17506 | Additional Members: 20 | Rows returned: 4
SPE00270090 0.529411764705882
SPE00270083 0.402597402597403
SPE01500849 0.354430379746835
SPE00270043 0.315068493150685

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