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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 2 3 4 5 6 7 8 9 10  Next >> [205]
Species: 4932
Condition: BCK1
Replicates: 2
Raw OD Value: r im 0.9560±0.0138593
Normalized OD Score: sc h 1.0276±0.00216309
Z-Score: 0.3088±0.0368103
p-Value: 0.757566
Z-Factor: -4.99814
Fitness Defect: 0.2776
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 (+):0.10149999999999999±0.00652
Plate DMSO Control (-):0.9764999999999998±0.01278
Plate Z-Factor:0.9338
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DBLink | Rows returned: 1448[1] << Back 221 222 223 224 225 226 227 228 229 230  Next >> [242]
7054196 1-[(1S,2R,5S)-2-methyl-5-propan-2-yl-cyclopentyl]ethanone
7054197 1-[(1S,2S,5S)-2-methyl-5-propan-2-yl-cyclopentyl]ethanone
7054426 (1R,5R)-1,8,8-trimethylbicyclo[3.2.1]octan-2-one
7054427 (1S,5S)-1,8,8-trimethylbicyclo[3.2.1]octan-2-one
7054461 1-[(1R,2R,4R)-4,7,7-trimethylnorbornan-2-yl]propan-1-one
7054462 1-[(1R,2S,4R)-4,7,7-trimethylnorbornan-2-yl]propan-1-one

internal high similarity DBLink | Rows returned: 17<< Back 1 2 3
NRB 03854 1.0000
NRB 03853 1.0000
NRB 03681 1.0000
JFD 01982 1.0000
SPE00300564 1.0000

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

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