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Compound InformationSONAR Target prediction
Name:

CAMPHOR (1R)

Unique Identifier:SPE01500156
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:136.106 g/mol
X log p:-0.875  (online calculus)
Lipinksi Failures0
TPSA17.07
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:1
Rotatable Bond Count:0
Canonical Smiles:CC1(C)C2CCC1(C)C(=O)C2
Class:terpene
Source:Cinnamomum camphora
Therapeutics:analgesic, antiinfective, antipruritic
Generic_name:5ALPHA-ANDROSTAN-3,17-DIONE
Chemical_iupac_name:5ALPHA-ANDROSTAN-3,17-DIONE
Drug_type:Experimental
Drugbank_id:EXPT00262
Drug_category:Estradiol 17 Beta-Dehydrogenase 1 inhibitor
Organisms_affected:-1

Found: 205 nonactive as graph: single | with analogs [1] << Back 201 202 203 204 205
Species: 4932
Condition: YPT6
Replicates: 2
Raw OD Value: r im 0.5223±0.013435
Normalized OD Score: sc h 1.0292±0.0238837
Z-Score: 0.4457±0.179541
p-Value: 0.658416
Z-Factor: -3.87581
Fitness Defect: 0.4179
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:13|B7
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.60 Celcius
Date:2008-06-05 YYYY-MM-DD
Plate CH Control (+):0.04070000000000001±0.00049
Plate DMSO Control (-):0.512175±0.01640
Plate Z-Factor:0.8807
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DBLink | Rows returned: 1448[1] << Back 221 222 223 224 225 226 227 228 229 230  Next >> [242]
7056784 (5S,8R,9S,10S,13R,14R,17R)-10,13-dimethyl-17-[(2S)-6-methylheptan-2-yl]-1,2,4,5,6,7,8,9,11,12,14,15,16,1
7-tetradecahydrocyclopenta[a]phenanthren-3-one
7057894 (5S,8S,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,4,5,6,7,8,9,11,12,14,15,16,1
7-tetradecahydrocyclopenta[a]phenanthren-3-one
7057963 (2S)-2-methylcyclohexan-1-one
7057964 (3S)-3-methylcyclohexan-1-one
7057991 (2S,6S)-2,6-dimethylcyclohexan-1-one
7060916 (2R)-2-methylcyclododecan-1-one

internal high similarity DBLink | Rows returned: 172 3 Next >> 
RJC 02257 0.9231
RJC 02979 0.9231
JFD 02406 0.9231
BTBG 00073 0.9231
BTB 14425 0.9231
BTB 13696 0.9231

active | Cluster 10613 | Additional Members: 2 | Rows returned: 0

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