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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 11 12 13 14 15 16 17 18 19 20  Next >> [205]
Species: 4932
Condition: pdr_yCG196
Replicates: 2
Raw OD Value: r im 0.7365±0.0205061
Normalized OD Score: sc h 1.0037±0.0209676
Z-Score: 0.1272±0.70221
p-Value: 0.622338
Z-Factor: -39.7243
Fitness Defect: 0.4743
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum_ED
Plate Number and Position:1|G6
Drug Concentration:50.00 nM
OD Absorbance:595 nm
Robot Temperature:30.00 Celcius
Date:2010-08-10 YYYY-MM-DD
Plate CH Control (+):0.0885±0.00760
Plate DMSO Control (-):0.9339999999999999±0.01812
Plate Z-Factor:0.9212
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DBLink | Rows returned: 1448[1] << Back 21 22 23 24 25 26 27 28 29 30  Next >> [242]
79588 2-methyldecan-3-one
79645 4-methyl-4-(4-methylcyclohexyl)pentan-2-one
79705 4-(4-ethylcyclohexyl)-4-methyl-pentan-2-one
80165 dodecan-6-one
80226 dodecan-4-one
81190 cyclooctanecarbaldehyde

internal high similarity DBLink | Rows returned: 171 2 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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