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Compound InformationSONAR Target prediction
Name:

CEDROL

Unique Identifier:SPE00307059
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:197.168 g/mol
X log p:0.0649999999999999  (online calculus)
Lipinksi Failures0
TPSA0
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:1
Rotatable Bond Count:0
Canonical Smiles:CC1CCC2C(C)(C)C3CC12CCC3(C)O
Class:sesquiterpene
Source:Common constitutent in the Family Cupressaceae
Reference:J Org Chem 43: 1964 (1978)
Therapeutics:acaricide
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: 74 active | as graph: single | with analogs [1] << Back 1 2 3 4 5 6 7 8 9 10  Next >> [74]
Species: 4932
Condition: CHS5
Replicates: 2
Raw OD Value: r im 0.6561±0.0110309
Normalized OD Score: sc h 0.8762±0.00791063
Z-Score: -6.0111±0.544707
p-Value: 0.00000000930428
Z-Factor: 0.374526
Fitness Defect: 18.4928
Bioactivity Statement: Active
Experimental Conditions
Library:Spectrum
Plate Number and Position:6|F9
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.50 Celcius
Date:2006-03-28 YYYY-MM-DD
Plate CH Control (+):0.039525000000000005±0.00109
Plate DMSO Control (-):0.740075±0.01290
Plate Z-Factor:0.9421
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DBLink | Rows returned: 2037[1] << Back 1 2 3 4 5 6 7 8 9 10  Next >> [340]
8184 undecan-1-ol
8193 dodecan-1-ol
8207 tridecan-1-ol
8209 tetradecan-1-ol
8221 octadecan-1-ol
8298 3,3,5-trimethylcyclohexan-1-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 4444 | Additional Members: 3 | Rows returned: 1
SPE00310015 0.490566037735849

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