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Compound InformationSONAR Target prediction
Name:

ZEORIN

Unique Identifier:SPE01800055
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C30H52O2
Molecular Weight:394.336 g/mol
X log p:-0.0620000000000002  (online calculus)
Lipinksi Failures0
TPSA0
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:2
Rotatable Bond Count:1
Canonical Smiles:CC(C)(O)C1CCC2(C)C1CCC1(C)C2CCC2C3(C)CCCC(C)(C)C3C(O)CC21C
Source:ex various lichens, e.g., Anaptychia species
Reference:Bull Soc Chim 1963: 1702
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 91 92 93 94 95 96 97 98 99 100  Next >> [101]
Species: 4932
Condition: TOP1
Replicates: 2
Raw OD Value: r im 0.5914±0.0164049
Normalized OD Score: sc h 1.0157±0.0209027
Z-Score: 0.2442±0.324805
p-Value: 0.812002
Z-Factor: -5.92662
Fitness Defect: 0.2083
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:5|H3
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.50 Celcius
Date:2006-04-26 YYYY-MM-DD
Plate CH Control (+):0.040075±0.00110
Plate DMSO Control (-):0.5815±0.02355
Plate Z-Factor:0.8370
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DBLink | Rows returned: 2037[1] << Back 331 332 333 334 335 336 337 338 339 340 Next >> [340]
7784265 n/a
7784266 n/a
7784267 n/a
7829839 (5R,8S,9R,10S,13S,14R,16R)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta
[a]phenanthren-16-ol
7829852 (5R,8S,9S,10S,13S,14R,16R)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta
[a]phenanthren-16-ol
7829981 (5R,8S,9R,10S,13R,14R,16R)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta
[a]phenanthren-16-ol

internal high similarity DBLink | Rows returned: 382 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 466 | Additional Members: 1 | Rows returned: 0

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