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Compound InformationSONAR Target prediction
Name:

FUCOSTANOL

Unique Identifier:SPE01504053
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:364.31 g/mol
X log p:1.79  (online calculus)
Lipinksi Failures0
TPSA0
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:1
Rotatable Bond Count:6
Canonical Smiles:CCC(CCC(C)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C)C(C)C
Class:sterol
Source:Calendula officinalis
Reference:J Am Chem Soc 60: 2431 (1938)
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: 205 nonactive as graph: single | with analogs 1 2 3 4 5 6 7 8 9 10  Next >> [205]
Species: 4932
Condition: APC9
Replicates: 2
Raw OD Value: r im 0.6986±0.0019799
Normalized OD Score: sc h 1.0051±0.00576781
Z-Score: 0.2813±0.317584
p-Value: 0.783858
Z-Factor: -12.3675
Fitness Defect: 0.2435
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:8|C2
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:23.00 Celcius
Date:2007-11-22 YYYY-MM-DD
Plate CH Control (+):0.041675000000000004±0.00068
Plate DMSO Control (-):0.6857500000000001±0.02249
Plate Z-Factor:0.8773
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DBLink | Rows returned: 2037[1] << Back 11 12 13 14 15 16 17 18 19 20  Next >> [340]
33601 octadecan-5-ol
33740 tetradecan-4-ol
33865 11-methyldodecan-1-ol
34541 hexadecan-4-ol
35725 n/a
35784 3-methylheptan-2-ol

internal high similarity DBLink | Rows returned: 38<< Back 1 2 3 4 5 6 7 Next >> 
BTBG 00239 1.0000
JFD 03015 1.0000
JFD 04053 1.0000
LOPAC 00683 1.0000
NRB 01738 1.0000
NRB 01741 1.0000

active | Cluster 2228 | Additional Members: 18 | Rows returned: 71 2 Next >> 
SPE00270051 0.451219512195122
SPE01500835 0.309859154929578
SPE01500605 0.3
SPE01500837 0.3
Prest256 0.3
SPE01500906 0

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