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Compound InformationSONAR Target prediction
Name:

CHOLESTANOL

Unique Identifier:SPE00270078
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C27H48O
Molecular Weight:341.296 g/mol
X log p:1.606  (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)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C
Source:ex eggs, faces, gall stones, adrenal tissue
Generic_name:5-ALPHA-ANDROSTANE-3-BETA,17BETA-DIOL
Chemical_iupac_name:5-ALPHA-ANDROSTANE-3-BETA,17BETA-DIOL
Drug_type:Experimental
Drugbank_id:EXPT00530
Logp:3.73
Drug_category:Sex Hormone-Binding Globulin inhibitor
Organisms_affected:-1

Found: 101 nonactive as graph: single | with analogs [1] << Back 1 2 3 4 5 6 7 8 9 10  Next >> [101]
Species: 4932
Condition: ARF1
Replicates: 2
Raw OD Value: r im 0.6303±0.0393858
Normalized OD Score: sc h 1.0076±0.0297139
Z-Score: 0.3638±1.43827
p-Value: 0.340474
Z-Factor: -11.1696
Fitness Defect: 1.0774
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:8|B11
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.40 Celcius
Date:2007-10-02 YYYY-MM-DD
Plate CH Control (+):0.041025±0.00079
Plate DMSO Control (-):0.632525±0.06697
Plate Z-Factor:0.6376
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DBLink | Rows returned: 20372 3 4 5 6 7 8 9 10  Next >> [340]
957 octan-1-ol
1107 2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthren-3-ol
1213 4,8a-dimethyldecalin-4a-ol
1254 5-methyl-2-propan-2-yl-cyclohexan-1-ol
2682 hexadecan-1-ol
3240 10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a
]phenanthren-3-ol

internal high similarity DBLink | Rows returned: 38<< Back 1 2 3 4 5 6 7 Next >> 
RJC 03263 1.0000
SPE01503134 1.0000
SB 01465 1.0000
SPE00107093 1.0000
SPE01504056 1.0000
SPE00300105 1.0000

active | Cluster 2228 | Additional Members: 18 | Rows returned: 72 Next >> 
SPE00270051 0.451219512195122
SPE01500835 0.309859154929578
SPE01500605 0.3
SPE01500837 0.3
Prest256 0.3
SPE01500906 0

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