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Compound InformationSONAR Target prediction
Name:

5alpha-ANDROSTAN-3beta,17beta-DIOL

Unique Identifier:SPE00107100
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C19H32O2
Molecular Weight:261.21 g/mol
X log p:-0.0960000000000001  (online calculus)
Lipinksi Failures0
TPSA0
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:2
Rotatable Bond Count:0
Canonical Smiles:CC12CCC3C(CCC4CC(O)CCC43C)C1CCC2O
Source:testosterone metabolite
Reference:J Org Chem 26: 2043 (1961); J Med Chem 9: 924 (1966)
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: 93 nonactive | as graph: single | with analogs 1 2 3 4 5 6 7 8 9 10  Next >> [93]
Species: 4932
Condition: APC9
Replicates: 2
Raw OD Value: r im 0.7045±0.00912168
Normalized OD Score: sc h 1.0249±0.00974566
Z-Score: 1.3539±0.549857
p-Value: 0.207928
Z-Factor: -6.38789
Fitness Defect: 1.5706
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:22|H7
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:23.70 Celcius
Date:2007-11-22 YYYY-MM-DD
Plate CH Control (+):0.04225±0.00040
Plate DMSO Control (-):0.67065±0.19760
Plate Z-Factor:-0.0494
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DBLink | Rows returned: 2037[1] << Back 51 52 53 54 55 56 57 58 59 60  Next >> [340]
110328 24-methylpentacosan-1-ol
110341 dodecan-1-ol; propan-2-ol; tetradecan-1-ol; titanium
110611 octan-1-ol; titanium
110745 n/a
110810 2-(1-adamantyl)ethanol
111044 (4S,4aR,8aR)-4,8a-dimethyldecalin-4a-ol

internal high similarity DBLink | Rows returned: 381 2 3 4 5 6 7 Next >> 
BTB 12413 0.9231
RJC 00940 0.9231
JFD 01247 0.9231
NRB 02212 0.9231
BTB 14986 0.9231
BTB 14459 0.9231

active | Cluster 12674 | Additional Members: 6 | Rows returned: 4
NRB 03720 0.416666666666667
Prest1215 0.413793103448276
SPE00107093 0
LOPAC 00683 0

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