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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 2 3 4 5 6 7 8 9 10  Next >> [74]
Species: 4932
Condition: ARF1
Replicates: 2
Raw OD Value: r im 0.5738±0.0265165
Normalized OD Score: sc h 0.8720±0.028049
Z-Score: -6.1974±1.33841
p-Value: 0.0000000756448
Z-Factor: -1.01164
Fitness Defect: 16.3972
Bioactivity Statement: Active
Experimental Conditions
Library:Spectrum
Plate Number and Position:6|F9
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.20 Celcius
Date:2007-10-02 YYYY-MM-DD
Plate CH Control (+):0.041374999999999995±0.00060
Plate DMSO Control (-):0.66265±0.03344
Plate Z-Factor:0.8393
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DBLink | Rows returned: 2037[1] << Back 331 332 333 334 335 336 337 338 339 340 Next >> [340]
16057696 n/a
16057709 (5S,7S)-3-ethyladamantan-1-ol
16057773 (1S,4S,6R)-6,7,7-trimethylbicyclo[2.2.1]heptan-6-ol
16059117 cyclopentane; dicyclopentylmethanol; iron(+2) cation
16061344 (3S,5S,8S,9S,10S,13S,14S,17R)-17-[(2S,3S,5R)-3-hydroxy-5,6-dimethyl-heptan-2-yl]-10,13-dimethyl-2,3,4,5,
6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
16061351 n/a

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 4444 | Additional Members: 3 | Rows returned: 1
SPE00310015 0.490566037735849

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