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Compound InformationSONAR Target prediction
Name:

Androsterone

Unique Identifier:LOPAC 00697
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C19H30O2
Molecular Weight:263.226 g/mol
X log p:-0.358  (online calculus)
Lipinksi Failures0
TPSA17.07
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:2
Rotatable Bond Count:0
Canonical Smiles:CC12CCC(O)CC1CCC1C2CCC2(C)C1CCC2=O
Class:Hormone
Selectivity:Androgen
Generic_name:AETIOCHOLANOLONE
Chemical_iupac_name:AETIOCHOLANOLONE
Drug_type:Experimental
Drugbank_id:EXPT00443
Drug_category:Alcohol Sulfotransferase inhibitor
Organisms_affected:-1

Found: 22 nonactive | as graph: single | with analogs 1 2 3 4 5 6 7 8 9 10  Next >> [22]
Species: 4932
Condition: BY4741
Replicates: 8
Raw OD Value: r im 0.8188±0.0889757
Normalized OD Score: sc h 0.9873±0.0444372
Z-Score: -0.4847±1.10785
p-Value: 0.481946
Z-Factor: -18.6776
Fitness Defect: 0.7299
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Lopac
Plate Number and Position:2|G5
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:27.60 Celcius
Date:2005-04-07 YYYY-MM-DD
Plate CH Control (+):0.046749999999999986±0.00334
Plate DMSO Control (-):0.7916312500000005±0.04022
Plate Z-Factor:0.8778
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DBLink | Rows returned: 323[1] << Back 51 52 53 54
8015697 (5R,8R,9S,10S,13S,14R,17R)-17-hydroxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyc
lopenta[a]phenanthren-3-one
11000589 1-hydroxyoctadecan-9-one
11978239 n/a
15940313 n/a
15940314 n/a

internal high similarity DBLink | Rows returned: 5
LOPAC 01140 0.9474
LOPAC 01166 1.0000
NRB 03688 1.0000
SPE00100303 1.0000
SPE00310009 1.0000

active | Cluster 11774 | Additional Members: 14 | Rows returned: 5
SPE00107108 0.377049180327869
SPE00107113 0.353846153846154
SPE01503675 0.34375
SPE00100586 0.275862068965517
SPE00310009 0

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