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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 Next >> [205]
Species: 4932
Condition: VPS35
Replicates: 2
Raw OD Value: r im 0.7072±0.00813173
Normalized OD Score: sc h 1.0086±0.00643058
Z-Score: 0.4336±0.3303
p-Value: 0.673072
Z-Factor: -9.08664
Fitness Defect: 0.3959
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:13|B7
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.90 Celcius
Date:2008-02-20 YYYY-MM-DD
Plate CH Control (+):0.04165±0.00075
Plate DMSO Control (-):0.689375±0.02110
Plate Z-Factor:0.9223
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DBLink | Rows returned: 1448[1] << Back 231 232 233 234 235 236 237 238 239 240  Next >> [242]
7166675 (4aS,8aS)-decalin-2-one
7213438 n/a
7213439 n/a
7213440 n/a
7213441 n/a
7305627 (4R)-4-(1-adamantyl)nonan-5-one

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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