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Compound InformationSONAR Target prediction
Name:

Cholesterol

Unique Identifier:LAT005E03
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C27H46O
Molecular Weight:343.312 g/mol
X log p:3.269  (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
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: 5 nonactive as graph: single | with analogs << Back 1 2 3 4 5 Next >> 
Species: 4932
Condition: pdr22h
Replicates: 2
Raw OD Value: r im 0.7033±0.0192333
Normalized OD Score: sc h 1.0275±0.00473215
Z-Score: 1.1907±0.174698
p-Value: 0.237324
Z-Factor: -2.19718
Fitness Defect: 1.4383
Bioactivity Statement: Nonactive
Experimental Conditions
Library:LATCA
Plate Number and Position:5|E3
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.90 Celcius
Date:2007-03-08 YYYY-MM-DD
Plate CH Control (+):0.03995±0.00206
Plate DMSO Control (-):0.670725±0.01513
Plate Z-Factor:0.9211
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DBLink | Rows returned: 553[1] << Back 71 72 73 74 75 76 77 78 79 80  Next >> [93]
11141257 (3S,7R,8S,9S,10R,13S,14S,17S)-7,10,13-trimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[
a]phenanthrene-3,17-diol
11159839 n/a
11176661 (3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-octan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro
-1H-cyclopenta[a]phenanthren-3-ol
11194541 8a-methyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-1-ol
11198251 (3S,8S,9S,10R,13S,14S,17R)-17-[(2S)-but-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahy
dro-1H-cyclopenta[a]phenanthren-3-ol
11206830 (5R,6S,9R,10S)-3,6-dimethyl-9-propan-2-yl-spiro[4.5]dec-3-en-10-ol

internal high similarity DBLink | Rows returned: 5
BIOMOL 418 1.0000
Prest11 1.0000
SPE00107022 1.0000
SPE01500847 1.0000
SPE01504051 1.0000

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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