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Compound InformationSONAR Target prediction
Name:

EPIANDROSTANEDIOL

Unique Identifier:SPE00107093
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:ex numerous mammalian tissues
Therapeutics:regulation of puberty in females
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: 22 active | as graph: single | with analogs [1] << Back 11 12 13 14 15 16 17 18 19 20  Next >> [22]
Species: 4932
Condition: TIF3
Replicates: 2
Raw OD Value: r im 0.5193±0.0033234
Normalized OD Score: sc h 0.8443±0.00650043
Z-Score: -7.3092±0.0949349
p-Value: 0.00000000000030232
Z-Factor: -3.65703
Fitness Defect: 28.8273
Bioactivity Statement: Active
Experimental Conditions
Library:Spectrum
Plate Number and Position:2|G7
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.20 Celcius
Date:2007-10-31 YYYY-MM-DD
Plate CH Control (+):0.041999999999999996±0.00075
Plate DMSO Control (-):0.6038749999999999±0.10641
Plate Z-Factor:0.4029
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DBLink | Rows returned: 2037[1] << Back 331 332 333 334 335 336 337 338 339 340 Next >> [340]
11951067 16-methylheptadecan-1-olate; propan-2-olate; titanium(+4) cation
11976203 n/a
11983377 icosan-9-ol
11988144 5-methyl-2-propan-2-yl-1-tritio-cyclohexan-1-ol
11996452 n/a
12003447 (1,2,2-trimethylcyclopentyl)methanol

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
LOPAC 00683 0
SPE00107100 0

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